Summary

IMPPAT Phytochemical identifier: IMPHY016423

Phytochemical name: 4-Isopropylcyclohexanol

Synonymous chemical names:
4-isopropylcyclohexanol, 4-isopropylcyclohexanol (isomer2)

External chemical identifiers:
CID:20739, ChEMBL:CHEMBL3187028, ZINC:ZINC000001640788, SureChEMBL:SCHEMBL42884, MolPort-002-501-745

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Chemical structure information

SMILES:
CC(C1CCC(CC1)O)C

InChI:
InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3

InChIKey:
DKKRDMLKVSKFMJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC6))O)))))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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 0.93

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Chemical structure download