Summary

IMPPAT Phytochemical identifier: IMPHY017918

Phytochemical name: Allyl cyclohexylpropanoate

Synonymous chemical names:
allyl cyclohexylpropanoate

Chemical structure information

SMILES:
C=CCOC(=O)CCC1CCCCC1

InChI:
InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2

InChIKey:
TWXUTZNBHUWMKJ-UHFFFAOYSA-N

DeepSMILES:
C=CCOC=O)CCCCCCCC6

Functional groups:
C=CC, COC(C)=O

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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: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.095

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Chemical structure download