Summary

IMPPAT Phytochemical identifier: IMPHY015329

Phytochemical name: 3-Cyclohexyldodecane

Synonymous chemical names:
3-cyclohexyl dodecane

External chemical identifiers:
CID:524423, SureChEMBL:SCHEMBL11677036

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Chemical structure information

SMILES:
CCCCCCCCCC(C1CCCCC1)CC

InChI:
InChI=1S/C18H36/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h17-18H,3-16H2,1-2H3

InChIKey:
ZDMYCNLANBQLOI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC6))))))CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: 0.914

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Chemical structure download