Summary

IMPPAT Phytochemical identifier: IMPHY015960

Phytochemical name: trans-1,2-Dimethylcyclopentane

Synonymous chemical names:
trans-1,2-dimethylcyclopentane

External chemical identifiers:
CID:252359, ZINC:ZINC000071775223, FDASRS:942K50C92R, SureChEMBL:SCHEMBL597949

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Chemical structure information

SMILES:
C[C@@H]1CCC[C@H]1C

InChI:
InChI=1S/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1

InChIKey:
RIRARCHMRDHZAR-RNFRBKRXSA-N

DeepSMILES:
C[C@@H]CCC[C@H]5C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

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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: 0.522

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Chemical structure download