Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001754

Phytochemical name: 1,2-Dimethylcyclohexane

Synonymous chemical names:
1,2-dimethyl cyclohexane, 1,2-dimethyicyclohexane

External chemical identifiers:
CID:CID_11416, FDASRS:5D8M6YR6O1, SureChEMBL:SCHEMBL97107

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Chemical structure information

SMILES:
CC1CCCCC1C

InChI:
InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3

InChIKey:
KVZJLSYJROEPSQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6C

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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: 0.388

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Chemical structure download