Summary

IMPPAT Phytochemical identifier: IMPHY016159

Phytochemical name: 1,1,2,3-Tetramethylcyclohexane

Synonymous chemical names:
1,1,2,3-tetramethyl cyclohexane

External chemical identifiers:
CID:549623, SureChEMBL:SCHEMBL1155490

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Chemical structure information

SMILES:
CC1CCCC(C1C)(C)C

InChI:
InChI=1S/C10H20/c1-8-6-5-7-10(3,4)9(8)2/h8-9H,5-7H2,1-4H3

InChIKey:
BUOAKQCLRBVIOX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6C))C)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: 2.13

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Chemical structure download