Summary

IMPPAT Phytochemical identifier: IMPHY017942

Phytochemical name: 4-Cyclopropylcarbonyloxydodecane

Synonymous chemical names:
4-cyclopropylcarbonyloxydodecane

Chemical structure information

SMILES:
CCCC(OC(=O)C1CC1)CCCCCCCC

InChI:
InChI=1S/C16H30O2/c1-3-5-6-7-8-9-11-15(10-4-2)18-16(17)14-12-13-14/h14-15H,3-13H2,1-2H3

InChIKey:
OSXBLYRJQVAGLX-UHFFFAOYSA-N

DeepSMILES:
CCCCOC=O)CCC3)))))CCCCCCCC

Functional groups:
COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC1

Scaffold Graph/Node level:
C1CC1

Scaffold Graph level:
C1CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 0.943

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Chemical structure download