Summary

IMPPAT Phytochemical identifier: IMPHY009132

Phytochemical name: Pentyl propionate

Synonymous chemical names:
amyl propionate

External chemical identifiers:
CID:12217, ChEBI:87373, ZINC:ZINC000001586315, FDASRS:826P0596UJ, SureChEMBL:SCHEMBL20847

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Chemical structure information

SMILES:
CCCCCOC(=O)CC

InChI:
InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3

InChIKey:
TWSRVQVEYJNFKQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCOC=O)CC

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: 0.265

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Chemical structure download