Summary

IMPPAT Phytochemical identifier: IMPHY015309

Phytochemical name: 3,3-Dimethylcyclohexanol

Synonymous chemical names:
3,3-dimethylcyclohexanol

External chemical identifiers:
CID:79105, SureChEMBL:SCHEMBL27958, MolPort-003-911-357

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Chemical structure information

SMILES:
OC1CCCC(C1)(C)C

InChI:
InChI=1S/C8H16O/c1-8(2)5-3-4-7(9)6-8/h7,9H,3-6H2,1-2H3

InChIKey:
DQBDGNSFXSCBJX-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6)C)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-Likeness score: 2.35

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Chemical structure download