Summary

IMPPAT Phytochemical identifier: IMPHY017423

Phytochemical name: (3E)-2,6-dimethylhepta-3,5-dien-2-ol

Synonymous chemical names:
(3e)-2,6-dimethyl-3,5-heptadien-2-ol

External chemical identifiers:
CID:5369969

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Chemical structure information

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

InChI:
InChI=1S/C9H16O/c1-8(2)6-5-7-9(3,4)10/h5-7,10H,1-4H3/b7-5+

InChIKey:
WRCBAWDQQSQNRE-FNORWQNLSA-N

DeepSMILES:
CC=C/C=C/CO)C)C)))))C

Functional groups:
C/C=C/C=C(C)C, 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: 2.898

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Chemical structure download