Summary

IMPPAT Phytochemical identifier: IMPHY017639

Phytochemical name: Cyclopentane, 1,2,4-trimethyl-, trans,cis-

Synonymous chemical names:
1alpha,2β,4alpha-trimethylcyclopentane

External chemical identifiers:
CID:6429398, ZINC:ZINC000002034532

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Chemical structure information

SMILES:
CC1C[C@@H]([C@H](C1)C)C

InChI:
InChI=1S/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1

InChIKey:
PNUFYSGVPVMNRN-YUMQZZPRSA-N

DeepSMILES:
CCC[C@@H][C@H]C5)C))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: 1.062

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Chemical structure download