Showing Compound Card for 2-Tridecene (CDB005837)

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Record Information
Version1.0
Created at2020-04-27 17:01:31 UTC
Updated at2021-01-04 18:49:24 UTC
CannabisDB IDCDB005837
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common Name2-Tridecene
Description2-Tridecene also known as Tridec-2-ene, is a linear alkene with 13 carbons. 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. 2-Tridecene is one of several structural isomers of tridecene which differ in the position of double bond. 2-Tridecene is also classified as an acyclic olefin There are two known stereoisomers of 2-Tridecene including cis- and trans-2-Tridecene. 2-Tridecene is a very hydrophobic molecule that is practically insoluble in water. Tridecenes are found in cannabis smoke. 2-Tridecene is formed during the combustion of cannabis ( Ref:DOI ).
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
SynonymsNot Available
Chemical FormulaC13H26
Average Molecular Weight182.35
Monoisotopic Molecular Weight182.2035
IUPAC Nametridec-2-ene
Traditional Nametridec-2-ene
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCC=CC
InChI Identifier
InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5H,4,6-13H2,1-2H3
InChI KeyXWVHBWQEYOROBE-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 DescriptorsNot Available
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
logP6.7ALOGPS
logP5.88ChemAxon
logS-6.1ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity62.73 m³·mol⁻¹ChemAxon
Polarizability26.3 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
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 ID30493
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound32934
PDB IDNot Available
ChEBI IDNot Available
References
General ReferencesNot Available