Summary
IMPPAT Phytochemical identifier: IMPHY017918
Phytochemical name: Allyl cyclohexylpropanoate
Synonymous chemical names:allyl cyclohexylpropanoate
Chemical structure information
SMILES:C=CCOC(=O)CCC1CCCCC1InChI:InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2InChIKey:TWXUTZNBHUWMKJ-UHFFFAOYSA-N
DeepSMILES:C=CCOC=O)CCCCCCCC6
Functional groups:C=CC, COC(C)=O
Molecular scaffolds
Scaffold Graph/Node/Bond level:C1CCCCC1
Scaffold Graph/Node level:C1CCCCC1
Scaffold Graph level:C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire 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
Chemical structure download