Summary

IMPPAT Phytochemical identifier: IMPHY016081

Phytochemical name: 3,7-Dimethyl-5-octene-1,7-diol

Synonymous chemical names:
(e)-3,7-dimethyl-5-octen-1,7-diol

External chemical identifiers:
CID:11052117, SureChEMBL:SCHEMBL5307634

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Chemical structure information

SMILES:
OCCC(C/C=C/C(O)(C)C)C

InChI:
InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h4,7,9,11-12H,5-6,8H2,1-3H3/b7-4+

InChIKey:
VXRCLLPWPPTREM-QPJJXVBHSA-N

DeepSMILES:
OCCCC/C=C/CO)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: 2.856

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Chemical structure download