Summary

IMPPAT Phytochemical identifier: IMPHY016285

Phytochemical name: 6-Methyleneundecane

Synonymous chemical names:
2-pentyl-1-heptene

External chemical identifiers:
CID:544743, SureChEMBL:SCHEMBL506355

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Chemical structure information

SMILES:
CCCCCC(=C)CCCCC

InChI:
InChI=1S/C12H24/c1-4-6-8-10-12(3)11-9-7-5-2/h3-11H2,1-2H3

InChIKey:
XEFKBSJQOZGUTE-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=C)CCCCC

Functional groups:
C=C(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.918

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Chemical structure download