Summary

IMPPAT Phytochemical identifier: IMPHY006395

Phytochemical name: 3,7-Dimethyloct-7-en-1-ol

Synonymous chemical names:
3,7-dimethyl-oct-1-en-6-one

External chemical identifiers:
CID:543323, SureChEMBL:SCHEMBL116734

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Chemical structure information

SMILES:
OCCC(CCCC(=C)C)C

InChI:
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3

InChIKey:
JGQFVRIQXUFPAH-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCC=C)C)))))C

Functional groups:
C=C(C)C, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.976

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Chemical structure download