Summary

IMPPAT Phytochemical identifier: IMPHY004435

Phytochemical name: 2,6-Dimethyl-3,7-octadiene-2,6-diol

Synonymous chemical names:
3,7-dimethyl-1,5-octadiene-3,7-diol

External chemical identifiers:
CID:5352451, SureChEMBL:SCHEMBL942493, MolPort-023-298-939

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Chemical structure information

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

InChI:
InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3/b7-6+

InChIKey:
QEOHJVNDENHRCH-VOTSOKGWSA-N

DeepSMILES:
C=CCC/C=C/CO)C)C)))))O)C

Functional groups:
C/C=C/C, C=CC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.811

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Chemical structure download