Summary

IMPPAT Phytochemical identifier: IMPHY017895

Phytochemical name: 1,2,3,4-Tetramethylcyclohexane

Synonymous chemical names:
1r,2c,3t,4t-tetramethyl cyclohexane

External chemical identifiers:
CID:94277, SureChEMBL:SCHEMBL1760795

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Chemical structure information

SMILES:
CC1C(C)CCC(C1C)C

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

InChIKey:
OOQVBBNTNKHXSN-UHFFFAOYSA-N

DeepSMILES:
CCCC)CCCC6C))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

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.771

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Chemical structure download