Summary

IMPPAT Phytochemical identifier: IMPHY016592

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

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

External chemical identifiers:
CID:6432485, ZINC:ZINC000072099278, SureChEMBL:SCHEMBL3783239

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Chemical structure information

SMILES:
C[C@@H]1C[C@@H](C)CC(C1)(C)C

InChI:
InChI=1S/C10H20/c1-8-5-9(2)7-10(3,4)6-8/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1

InChIKey:
WOJSMJIXPQLESQ-RKDXNWHRSA-N

DeepSMILES:
C[C@@H]C[C@@H]C)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: 0.658

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Chemical structure download