Summary

IMPPAT Phytochemical identifier: IMPHY015723

Phytochemical name: Heptyl propionate

Synonymous chemical names:
heptyl propanoate

External chemical identifiers:
CID:16670, ZINC:ZINC000002038772, SureChEMBL:SCHEMBL1471551

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Chemical structure information

SMILES:
CCCCCCCOC(=O)CC

InChI:
InChI=1S/C10H20O2/c1-3-5-6-7-8-9-12-10(11)4-2/h3-9H2,1-2H3

InChIKey:
BGYICJVBGZQOCY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCOC=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: 0.31

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Chemical structure download