Summary

IMPPAT Phytochemical identifier: IMPHY017120

Phytochemical name: Propyl 3-hydroxyhexanoate

Synonymous chemical names:
propyl 3-hydroxy-hexanoate

External chemical identifiers:
CID:14915819

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Chemical structure information

SMILES:
CCCOC(=O)CC(CCC)O

InChI:
InChI=1S/C9H18O3/c1-3-5-8(10)7-9(11)12-6-4-2/h8,10H,3-7H2,1-2H3

InChIKey:
CWVLNJIMVHQEAU-UHFFFAOYSA-N

DeepSMILES:
CCCOC=O)CCCCC)))O

Functional groups:
CO, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Hydroxy acids and derivatives

ClassyFire Subclass: Beta hydroxy acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.852

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Chemical structure download