Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018307

Phytochemical name: Cyclopentane, 1-(2-decyldodecyl)-2,4-dimethyl-

Synonymous chemical names:
Cyclopentane, 1-(2-decyldodecyl)-2,4-dimethyl-

External chemical identifiers:
CID:CID_282769

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Chemical structure information

SMILES:
CCCCCCCCCCC(CC1CC(CC1C)C)CCCCCCCCCC

InChI:
InChI=1S/C29H58/c1-5-7-9-11-13-15-17-19-21-28(25-29-24-26(3)23-27(29)4)22-20-18-16-14-12-10-8-6-2/h26-29H,5-25H2,1-4H3

InChIKey:
JIBZZZWEWJGUOA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC5C)))C)))))CCCCCCCCCC

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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: 0.904

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Chemical structure download