Summary

IMPPAT Phytochemical identifier: IMPHY006159

Phytochemical name: 2,6-Dimethylocta-1,7-diene-3,6-diol

Synonymous chemical names:
2,6-dimethyl-1,7-octadiene-3,6-diol

External chemical identifiers:
CID:548927, SureChEMBL:SCHEMBL942435

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Chemical structure information

SMILES:
C=CC(CCC(C(=C)C)O)(O)C

InChI:
InChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h5,9,11-12H,1-2,6-7H2,3-4H3

InChIKey:
HZHJGFRDKJPQPV-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC=C)C))O))))O)C

Functional groups:
C=C(C)C, C=CC, 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: 3.143

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Chemical structure download