Butyl 5-oxohexanoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H18O3
Molecular Weight	186.2481
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Butyl 5-oxohexanoate

Structure Search

SMILES

CCCCOC(=O)CCCC(C)=O

InChI

InChIKey=HCXCVKYQWKDKOS-UHFFFAOYSA-N

InChI=1S/C10H18O3/c1-3-4-8-13-10(12)7-5-6-9(2)11/h3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C10H18O3
Molecular Weight	186.2481
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:25:00 GMT 2025` Edited by `admin` on `Tue Apr 01 19:25:00 GMT 2025`
Record UNII	YAE66YGF7Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Butyl 5-oxohexanoate

Systematic Name

English

Hexanoic acid, 5-oxo-, butyl ester

Preferred Name

English

Code System Code Type Description

CAS

54723-19-2

Created by admin on Tue Apr 01 19:25:00 GMT 2025 , Edited by admin on Tue Apr 01 19:25:00 GMT 2025

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PUBCHEM

108622

Created by admin on Tue Apr 01 19:25:00 GMT 2025 , Edited by admin on Tue Apr 01 19:25:00 GMT 2025

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ECHA (EC/EINECS)

259-305-4

Created by admin on Tue Apr 01 19:25:00 GMT 2025 , Edited by admin on Tue Apr 01 19:25:00 GMT 2025

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FDA UNII

YAE66YGF7Y

Created by admin on Tue Apr 01 19:25:00 GMT 2025 , Edited by admin on Tue Apr 01 19:25:00 GMT 2025

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EPA CompTox

DTXSID2068975

Created by admin on Tue Apr 01 19:25:00 GMT 2025 , Edited by admin on Tue Apr 01 19:25:00 GMT 2025

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