Summary

IMPPAT Phytochemical identifier: IMPHY011017

Phytochemical name: 2,6-Dimethyl-6-hepten-2-ol

Synonymous chemical names:
2,6-dimethyl-6-hepten-2-ol

External chemical identifiers:
CID:520592, ZINC:ZINC000002386853, SureChEMBL:SCHEMBL13346194

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Chemical structure information

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

InChI:
InChI=1S/C9H18O/c1-8(2)6-5-7-9(3,4)10/h10H,1,5-7H2,2-4H3

InChIKey:
ICHVSYBMEODCOO-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCCCO)C)C

Functional groups:
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: 1.631

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Chemical structure download