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Record Information
Version1.0
Created at2020-04-27 17:01:01 UTC
Updated at2021-01-04 18:49:23 UTC
CannabisDB IDCDB005832
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameNonadecene
Description1-Nonadecene or Nonadecene, also known as nonadec-1-ene, is a 19 carbon alkene containing one double bond located at position 1. It 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. 1-Nonadecene is one of several structural isomers of nonadecene which differ in the position of double bond. 1-Nonadecene is a very hydrophobic molecule that is practically insoluble in water, and relatively neutral. Nonadecenes are found in cannabis smoke. 1-Nonadecene is formed during the combustion of cannabis ( Ref:DOI ).
Structure
Thumb
Synonyms
ValueSource
1-NonadeceneChEBI
Chemical FormulaC19H38
Average Molecular Weight266.51
Monoisotopic Molecular Weight266.2974
IUPAC Namenonadec-1-ene
Traditional Name1-nonadecene
CAS Registry Number18435-45-5
SMILES
CCCCCCCCCCCCCCCCCC=C
InChI Identifier
InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3
InChI KeyNHLUYCJZUXOUBX-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
Not Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP9.36ALOGPS
logP8.61ChemAxon
logS-7ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count16ChemAxon
Refractivity89.27 m³·mol⁻¹ChemAxon
Polarizability38.79 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Pathways
Pathways
Protein Targets
EnzymesNot Available
TransportersNot Available
Metal BindingsNot Available
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDCPD-14220
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound29075
PDB IDNot Available
ChEBI ID64503
References
General ReferencesNot Available