Cannabis Compound Database: Showing Compound Card for Ethylene (CDB005044)

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Record Information

Version

1.0

Created at

2020-04-17 19:03:40 UTC

Updated at

2020-11-18 16:39:14 UTC

CannabisDB ID

CDB005044

Secondary Accession Numbers

Not Available

Cannabis Compound Identification

Common Name

Ethylene

Description

Ethylene, 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

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Aethen	ChEBI
Aethylen	ChEBI
CH2=ch2	ChEBI
H2C=ch2	ChEBI
R-1150	ChEBI
Ethylene	ChEBI
Acetene	HMDB
Athylen	HMDB
Bicarburretted hydrogen	HMDB
Elayl	HMDB
Ethene	HMDB, MeSH
Ethene (9ci)	HMDB
Ethene, 9ci	HMDB
Ethylene (8ci)	HMDB
Ethylene, compressed	HMDB
Ethylene, pure	HMDB
Ethylene-CMPD	HMDB
Etileno	HMDB
Liquid ethyene	HMDB
Liquid ethylene	HMDB
Olefiant gas	HMDB
Plastipore	HMDB
Polyethylene as med mol. wt.	HMDB

Chemical Formula

C₂H₄

Average Molecular Weight

28.05

Monoisotopic Molecular Weight

28.0313

IUPAC Name

ethene

Traditional Name

ethylene

CAS Registry Number

74-85-1

SMILES

C=C

InChI Identifier

InChI=1S/C2H4/c1-2/h1-2H2

InChI Key

VGGSQFUCUMXWEO-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.

Kingdom

Organic compounds

Super Class

Hydrocarbons

Class

Unsaturated hydrocarbons

Sub Class

Unsaturated aliphatic hydrocarbons

Direct Parent

Unsaturated aliphatic hydrocarbons

Alternative Parents

Alkenes

Substituents

Unsaturated aliphatic hydrocarbon
Olefin
Alkene
Acyclic olefin
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

alkene (CHEBI:18153 )
a small molecule (ETHYLENE-CMPD )

Ontology

Cytoplasm

Cell and elements:

Extracellular

Physical Properties

State

Liquid

Experimental Properties

Property	Value	Reference
Melting Point	-169 °C	Not Available
Boiling Point	−103.7 °C	Wikipedia
Water Solubility	0.13 mg/mL at 25 °C	Not Available
logP	1.13	Not Available

Predicted Properties

Property	Value	Source
logP	0.9	ALOGPS
logP	1.11	ChemAxon
logS	-0.94	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	9.98 m³·mol⁻¹	ChemAxon
Polarizability	3.6 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
EI-MS	Mass Spectrum (Electron Ionization)	splash10-004i-9000000000-eacac6164c6e518f24f1	2015-03-01	View Spectrum
Predicted GC-MS	Ethylene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-004i-9000000000-f095b191b861b91b1edd	Spectrum
Predicted GC-MS	Ethylene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Ethylene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-9000000000-6a5dcb252ffd01ad3f35	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-9000000000-6a5dcb252ffd01ad3f35	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-9000000000-6a5dcb252ffd01ad3f35	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9000000000-fb5a9d1ef2758534fef6	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-fb5a9d1ef2758534fef6	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-fb5a9d1ef2758534fef6	2015-05-27	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9000000000-ba5e31e71ae9dbebe20f	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-ba5e31e71ae9dbebe20f	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-ba5e31e71ae9dbebe20f	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-9000000000-484ae18cf4402bde3472	2021-09-24	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-9000000000-484ae18cf4402bde3472	2021-09-24	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-9000000000-484ae18cf4402bde3472	2021-09-24	View Spectrum

NMR

Type	Description	View
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Spectrum