Summary

IMPPAT Phytochemical identifier: IMPHY016170

Phytochemical name: 1,2,3,5-Tetramethylcyclohexane

Synonymous chemical names:
1,2,3,5-tetramethyl cyclohexane

External chemical identifiers:
CID:94276, SureChEMBL:SCHEMBL598370

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Chemical structure information

SMILES:
CC1CC(C)C(C(C1)C)C

InChI:
InChI=1S/C10H20/c1-7-5-8(2)10(4)9(3)6-7/h7-10H,5-6H2,1-4H3

InChIKey:
HLPYGMSCWOQRJN-UHFFFAOYSA-N

DeepSMILES:
CCCCC)CCC6)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: 1.429

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Chemical structure download