Summary

IMPPAT Phytochemical identifier: IMPHY007319

Phytochemical name: Cyclohexanol, 1-methyl-4-(1-methylethyl)-

Synonymous chemical names:
1-methyl-4-(1-methylethyl)-3-cyclohexenol, 1-methyl-4-1-methylethyl)-cyclohexanol

External chemical identifiers:
CID:89437, ChEBI:89236, ZINC:ZINC000005440503, SureChEMBL:SCHEMBL3433997

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Chemical structure information

SMILES:
CC(C1CCC(CC1)(C)O)C

InChI:
InChI=1S/C10H20O/c1-8(2)9-4-6-10(3,11)7-5-9/h8-9,11H,4-7H2,1-3H3

InChIKey:
CMLYGGFIXXLYQT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC6))C)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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 1.72

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Chemical structure download