Summary

IMPPAT Phytochemical identifier: IMPHY013777

Phytochemical name: Pentyl formate

Synonymous chemical names:
amyl formate

External chemical identifiers:
CID:12529, ChEBI:173428, ZINC:ZINC000001697401, FDASRS:P46O2510D8, SureChEMBL:SCHEMBL28169

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Chemical structure information

SMILES:
CCCCCOC=O

InChI:
InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3

InChIKey:
DIQMPQMYFZXDAX-UHFFFAOYSA-N

DeepSMILES:
CCCCCOC=O

Functional groups:
COC=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: 0.851

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Chemical structure download