Summary

IMPPAT Phytochemical identifier: IMPHY011056

Phytochemical name: 4-Pentenyl propionate

Synonymous chemical names:
4-pentenyl propionate

External chemical identifiers:
CID:523733, SureChEMBL:SCHEMBL21986681

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Chemical structure information

SMILES:
CCC(=O)OCCCC=C

InChI:
InChI=1S/C8H14O2/c1-3-5-6-7-10-8(9)4-2/h3H,1,4-7H2,2H3

InChIKey:
ROJSQZUHNAFOPE-UHFFFAOYSA-N

DeepSMILES:
CCC=O)OCCCC=C

Functional groups:
C=CC, 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: 0.818

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Chemical structure download