Summary

IMPPAT Phytochemical identifier: IMPHY015244

Phytochemical name: 2,6-Dimethylcyclohexanol

Synonymous chemical names:
2,6-dimethylcyclohexanol

External chemical identifiers:
CID:21428, ChEMBL:CHEMBL4533790, SureChEMBL:SCHEMBL771194, MolPort-001-792-997

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Chemical structure information

SMILES:
CC1CCCC(C1O)C

InChI:
InChI=1S/C8H16O/c1-6-4-3-5-7(2)8(6)9/h6-9H,3-5H2,1-2H3

InChIKey:
MOISVRZIQDQVPF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6O))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.418

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Chemical structure download