Summary

IMPPAT Phytochemical identifier: IMPHY016036

Phytochemical name: trans-1,3-Dimethylcyclopentane

Synonymous chemical names:
trans-1,3-dimethylcyclopentane

External chemical identifiers:
CID:15656, ZINC:ZINC000002036127, SureChEMBL:SCHEMBL598517

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Chemical structure information

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

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

InChIKey:
XAZKFISIRYLAEE-RNFRBKRXSA-N

DeepSMILES:
C[C@@H]CC[C@H]C5)C

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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: 0.312

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Chemical structure download