Summary

IMPPAT Phytochemical identifier: IMPHY017935

Phytochemical name: 2-Pentyl propionate

Synonymous chemical names:
2-pentyl propionate

Chemical structure information

SMILES:
CCCC(OC(=O)CC)C

InChI:
InChI=1S/C8H16O2/c1-4-6-7(3)10-8(9)5-2/h7H,4-6H2,1-3H3

InChIKey:
IPVKBEOJURLVER-UHFFFAOYSA-N

DeepSMILES:
CCCCOC=O)CC))))C

Functional groups:
COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.558

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