Ethyl 2-acetyl-2-allyl-4-pentenoate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H18O3
Molecular Weight	210.2695
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 2-acetyl-2-allyl-4-pentenoate

Structure Search

SMILES

CCOC(=O)C(CC=C)(CC=C)C(C)=O

InChI

InChIKey=IOZNORWPBHWYBA-UHFFFAOYSA-N

InChI=1S/C12H18O3/c1-5-8-12(9-6-2,10(4)13)11(14)15-7-3/h5-6H,1-2,7-9H2,3-4H3

HIDE SMILES / InChI

Molecular Formula	C12H18O3
Molecular Weight	210.2695
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 `Sat Dec 16 19:53:23 GMT 2023` Edited by `admin` on `Sat Dec 16 19:53:23 GMT 2023`
Record UNII	KST3FP2U9H
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Ethyl 2-acetyl-2-allyl-4-pentenoate

Systematic Name

English

4-Pentenoic acid, 2-acetyl-2-(2-propen-1-yl)-, ethyl ester

Systematic Name

English

Ethyl 2-acetyl-2-(2-propen-1-yl)-4-pentenoate

Systematic Name

English

Ethyl 2-acetyl-2-allylpent-4-ene-1-oate

Systematic Name

English

Code System Code Type Description

CAS

3508-77-8

Created by admin on Sat Dec 16 19:53:23 GMT 2023 , Edited by admin on Sat Dec 16 19:53:23 GMT 2023

PRIMARY

EPA CompTox

DTXSID40188578

Created by admin on Sat Dec 16 19:53:23 GMT 2023 , Edited by admin on Sat Dec 16 19:53:23 GMT 2023

PRIMARY

PUBCHEM

77045

Created by admin on Sat Dec 16 19:53:23 GMT 2023 , Edited by admin on Sat Dec 16 19:53:23 GMT 2023

PRIMARY

ECHA (EC/EINECS)

222-508-3

Created by admin on Sat Dec 16 19:53:23 GMT 2023 , Edited by admin on Sat Dec 16 19:53:23 GMT 2023

PRIMARY

FDA UNII

KST3FP2U9H

Created by admin on Sat Dec 16 19:53:23 GMT 2023 , Edited by admin on Sat Dec 16 19:53:23 GMT 2023

PRIMARY