tert-Butyl 4-pentenoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H16O2
Molecular Weight	156.2221
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of tert-Butyl 4-pentenoate

Structure Search

SMILES

CC(C)(C)OC(=O)CCC=C

InChI

InChIKey=ZGQQQFWPVOPRSG-UHFFFAOYSA-N

InChI=1S/C9H16O2/c1-5-6-7-8(10)11-9(2,3)4/h5H,1,6-7H2,2-4H3

HIDE SMILES / InChI

Molecular Formula	C9H16O2
Molecular Weight	156.2221
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 12:21:57 GMT 2025` Edited by `admin` on `Wed Apr 02 12:21:57 GMT 2025`
Record UNII	3R5VBL9MN8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-219875

Preferred Name

English

tert-Butyl 4-pentenoate

Systematic Name

English

tert-Butyl pent-4-enoate

Systematic Name

English

1,1-Dimethylethyl 4-pentenoate

Systematic Name

English

4-Pentenoic acid, 1,1-dimethylethyl ester

Systematic Name

English

4-Pentenoic acid, tert-butyl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60309925

Created by admin on Wed Apr 02 12:21:57 GMT 2025 , Edited by admin on Wed Apr 02 12:21:57 GMT 2025

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PUBCHEM

311965

Created by admin on Wed Apr 02 12:21:57 GMT 2025 , Edited by admin on Wed Apr 02 12:21:57 GMT 2025

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CAS

32400-25-2

Created by admin on Wed Apr 02 12:21:57 GMT 2025 , Edited by admin on Wed Apr 02 12:21:57 GMT 2025

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NSC

219875

Created by admin on Wed Apr 02 12:21:57 GMT 2025 , Edited by admin on Wed Apr 02 12:21:57 GMT 2025

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FDA UNII

3R5VBL9MN8

Created by admin on Wed Apr 02 12:21:57 GMT 2025 , Edited by admin on Wed Apr 02 12:21:57 GMT 2025

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