Summary

IMPPAT Phytochemical identifier: IMPHY006762

Phytochemical name: 3,7-Dimethyloctane-1,7-diol

Synonymous chemical names:
(syn. 3,7-dimethyl-1,7-octanediol), hydroxycitronellol

External chemical identifiers:
CID:249494, ChEMBL:CHEMBL3187980, FDASRS:R0B4U2I48W, SureChEMBL:SCHEMBL362466, MolPort-002-507-712

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Chemical structure information

SMILES:
OCCC(CCCC(O)(C)C)C

InChI:
InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3

InChIKey:
FPCCDPXRNNVUOM-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCO)C)C)))))C

Functional groups:
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: 1.859

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Chemical structure download