Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018162

Phytochemical name: Isopropylcyclohexane

Synonymous chemical names:
Isopropylcyclohexane

External chemical identifiers:
CID:CID_12763, FDASRS:5S52JAD8P7, Molport-003-941-789

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Chemical structure information

SMILES:
CC(C1CCCCC1)C

InChI:
InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3

InChIKey:
GWESVXSMPKAFAS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC6))))))C

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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: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Cycloalkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.489

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Chemical structure download