Showing Compound Card for Ethylene (CDB005044)

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Record Information
Version1.0
Created at2020-04-17 19:03:40 UTC
Updated at2020-11-18 16:39:14 UTC
CannabisDB IDCDB005044
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameEthylene
DescriptionEthylene, also known as ethene or liquid ethyene, belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. Ethylene is possibly neutral. Ethylene exists in all living organisms, ranging from bacteria to humans. In humans, ethylene is involved in ifosfamide metabolism pathway. Ethylene is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
AethenChEBI
AethylenChEBI
CH2=ch2ChEBI
H2C=ch2ChEBI
R-1150ChEBI
EthyleneChEBI
AceteneHMDB
AthylenHMDB
Bicarburretted hydrogenHMDB
ElaylHMDB
EtheneHMDB, MeSH
Ethene (9ci)HMDB
Ethene, 9ciHMDB
Ethylene (8ci)HMDB
Ethylene, compressedHMDB
Ethylene, pureHMDB
Ethylene-CMPDHMDB
EtilenoHMDB
Liquid ethyeneHMDB
Liquid ethyleneHMDB
Olefiant gasHMDB
PlastiporeHMDB
Polyethylene as med mol. wt.HMDB
Chemical FormulaC2H4
Average Molecular Weight28.05
Monoisotopic Molecular Weight28.0313
IUPAC Nameethene
Traditional Nameethylene
CAS Registry Number74-85-1
SMILES
C=C
InChI Identifier
InChI=1S/C2H4/c1-2/h1-2H2
InChI KeyVGGSQFUCUMXWEO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassUnsaturated hydrocarbons
Sub ClassUnsaturated aliphatic hydrocarbons
Direct ParentUnsaturated aliphatic hydrocarbons
Alternative Parents
Substituents
  • Unsaturated aliphatic hydrocarbon
  • Olefin
  • Alkene
  • Acyclic olefin
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Source:

Biological location:

Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point-169 °CNot Available
Boiling Point−103.7 °CWikipedia
Water Solubility0.13 mg/mL at 25 °CNot Available
logP1.13Not Available
Predicted Properties
PropertyValueSource
logP0.9ALOGPS
logP1.11ChemAxon
logS-0.94ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity9.98 m³·mol⁻¹ChemAxon
Polarizability3.6 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
EI-MSMass Spectrum (Electron Ionization)splash10-004i-9000000000-eacac6164c6e518f24f12015-03-01View Spectrum
Predicted GC-MSEthylene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-004i-9000000000-f095b191b861b91b1eddSpectrum
Predicted GC-MSEthylene, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSEthylene, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-9000000000-6a5dcb252ffd01ad3f352015-05-27View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-9000000000-6a5dcb252ffd01ad3f352015-05-27View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-6a5dcb252ffd01ad3f352015-05-27View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-fb5a9d1ef2758534fef62015-05-27View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-fb5a9d1ef2758534fef62015-05-27View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-fb5a9d1ef2758534fef62015-05-27View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-ba5e31e71ae9dbebe20f2021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-ba5e31e71ae9dbebe20f2021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-ba5e31e71ae9dbebe20f2021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-9000000000-484ae18cf4402bde34722021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-9000000000-484ae18cf4402bde34722021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-484ae18cf4402bde34722021-09-24View Spectrum
NMR
TypeDescriptionView
1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Spectrum
1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Spectrum
Pathways
Pathways
Protein Targets
EnzymesNot Available
TransportersNot Available
Metal BindingsNot Available
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDHMDB0029594
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB000754
KNApSAcK IDC00000175
Chemspider ID6085
KEGG Compound IDC19503
BioCyc IDETHYLENE-CMPD
BiGG IDNot Available
Wikipedia LinkPolyethylene
METLIN IDNot Available
PubChem Compound6325
PDB IDNot Available
ChEBI ID18153
References
General ReferencesNot Available