Neopentyl isovalerate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H20O2
Molecular Weight	172.2646
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Neopentyl isovalerate

Structure Search

SMILES

CC(C)CC(=O)OCC(C)(C)C

InChI

InChIKey=KJHHLUGEJAXBEI-UHFFFAOYSA-N

InChI=1S/C10H20O2/c1-8(2)6-9(11)12-7-10(3,4)5/h8H,6-7H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C10H20O2
Molecular Weight	172.2646
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 `Wed Apr 02 12:21:34 GMT 2025` Edited by `admin` on `Wed Apr 02 12:21:34 GMT 2025`
Record UNII	RBM33N83D5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-937

Preferred Name

English

Neopentyl isovalerate

Systematic Name

English

Isovaleric acid, neopentyl ester

Systematic Name

English

2,2-Dimethylpropyl 3-methylbutanoate

Systematic Name

English

Butanoic acid, 3-methyl-, 2,2-dimethylpropyl ester

Systematic Name

English

2,2-Dimethylpropyl 3-methylbutyrate

Systematic Name

English

Code System Code Type Description

CAS

5340-68-1

Created by admin on Wed Apr 02 12:21:34 GMT 2025 , Edited by admin on Wed Apr 02 12:21:34 GMT 2025

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FDA UNII

RBM33N83D5

Created by admin on Wed Apr 02 12:21:34 GMT 2025 , Edited by admin on Wed Apr 02 12:21:34 GMT 2025

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EPA CompTox

DTXSID10277140

Created by admin on Wed Apr 02 12:21:34 GMT 2025 , Edited by admin on Wed Apr 02 12:21:34 GMT 2025

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NSC

937

Created by admin on Wed Apr 02 12:21:34 GMT 2025 , Edited by admin on Wed Apr 02 12:21:34 GMT 2025

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PUBCHEM

219525

Created by admin on Wed Apr 02 12:21:34 GMT 2025 , Edited by admin on Wed Apr 02 12:21:34 GMT 2025

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