Summary

IMPPAT Phytochemical identifier: IMPHY017261

Phytochemical name: 1,7-Dicyclohexyl-4-(3-cyclohexylpropyl)heptane

Synonymous chemical names:
1,1'-[4-(3-cyclohexylpropyl)-1,7-heptanediyl]bis cyclohexane

External chemical identifiers:
CID:296571, ZINC:ZINC000104145433

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Chemical structure information

SMILES:
C(CC1CCCCC1)CC(CCCC1CCCCC1)CCCC1CCCCC1

InChI:
InChI=1S/C28H52/c1-4-13-25(14-5-1)19-10-22-28(23-11-20-26-15-6-2-7-16-26)24-12-21-27-17-8-3-9-18-27/h25-28H,1-24H2

InChIKey:
IJBGDXMHVWEWQQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC6)))))))CCCCCCCCCCC6)))))))))CCCCCCCCC6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(CCCC(CCCC2CCCCC2)CCCC2CCCCC2)CC1

Scaffold Graph/Node level:
C1CCC(CCCC(CCCC2CCCCC2)CCCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCCC(CCCC2CCCCC2)CCCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.366

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Chemical structure download