Summary

IMPPAT Phytochemical identifier: IMPHY009596

Phytochemical name: Pentyl acetate

Synonymous chemical names:
amyl acetate, amyl-acetate, pentyl acetate

External chemical identifiers:
CID:12348, ChEMBL:CHEMBL47769, ChEBI:87362, ZINC:ZINC000001586314, FDASRS:92Q24NH7AS, SureChEMBL:SCHEMBL10663

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Chemical structure information

SMILES:
CCCCCOC(=O)C

InChI:
InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3

InChIKey:
PGMYKACGEOXYJE-UHFFFAOYSA-N

DeepSMILES:
CCCCCOC=O)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: 0.71

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Chemical structure download