Summary

IMPPAT Phytochemical identifier: IMPHY001943

Phytochemical name: 1-Hexene

Synonymous chemical names:
1-hexene, hex-1-ene

External chemical identifiers:
CID:11597, ChEMBL:CHEMBL1548726, ChEBI:24579, ZINC:ZINC000001699506, FDASRS:B38ZZ8C206, SureChEMBL:SCHEMBL2137, MolPort-001-787-074

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Chemical structure information

SMILES:
CCCCC=C

InChI:
InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3

InChIKey:
LIKMAJRDDDTEIG-UHFFFAOYSA-N

DeepSMILES:
CCCCC=C

Functional groups:
C=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Unsaturated aliphatic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.397

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Chemical structure download