Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018118

Phytochemical name: 1-Chloro-2-isopropyl-5-methylcyclohexane

Synonymous chemical names:
1-Chloro-2-isopropyl-5-methylcyclohexane

External chemical identifiers:
CID:CID_85951, FDASRS:WMY5AJ4LCF

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Chemical structure information

SMILES:
CC1CCC(C(C1)Cl)C(C)C

InChI:
InChI=1S/C10H19Cl/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3

InChIKey:
OMLOJNNKKPNVKN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6)Cl))CC)C

Functional groups:
CCl

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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: 1.034

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Chemical structure download