Summary

IMPPAT Phytochemical identifier: IMPHY015194

Phytochemical name: Cyclopentane, 1-methyl-3-(1-methylethyl)-

Synonymous chemical names:
1-methyl-3-(1-methylethyl)-cyclopentane, cis-1-methyl-3-isopropyl-cyclopentane

External chemical identifiers:
CID:521465, SureChEMBL:SCHEMBL1167455

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Chemical structure information

SMILES:
CC1CCC(C1)C(C)C

InChI:
InChI=1S/C9H18/c1-7(2)9-5-4-8(3)6-9/h7-9H,4-6H2,1-3H3

InChIKey:
CDTDMKCVKCGRPD-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5)CC)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, Terpenoids

NP Classifier Superclass: Fatty acyls, Monoterpenoids

NP Classifier Class: Hydrocarbons, Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 1.159

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Chemical structure download