Summary

IMPPAT Phytochemical identifier: IMPHY015586

Phytochemical name: 1,4-Dimethylcyclohexane

Synonymous chemical names:
cyclohexane,1,4-dimethyl

External chemical identifiers:
CID:11523, ChEBI:165732, ZINC:ZINC000001677086, SureChEMBL:SCHEMBL135763

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Chemical structure information

SMILES:
CC1CCC(CC1)C

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

InChIKey:
QRMPKOFEUHIBNM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6))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, Terpenoids

NP Classifier Superclass: Fatty acyls, Monoterpenoids

NP Classifier Class: Hydrocarbons, Menthane monoterpenoids

NP-Likeness score: 0.162

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Chemical structure download