Summary

IMPPAT Phytochemical identifier: IMPHY016989

Phytochemical name: 1,1-Dimethylcyclohexane

Synonymous chemical names:
1,1-dimethylcyclohexane

External chemical identifiers:
CID:11549, ZINC:ZINC000001699541, FDASRS:2MEV4299RC, SureChEMBL:SCHEMBL4469

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Chemical structure information

SMILES:
CC1(C)CCCCC1

InChI:
InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3

InChIKey:
QEGNUYASOUJEHD-UHFFFAOYSA-N

DeepSMILES:
CCC)CCCCC6

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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: 0.847

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Chemical structure download