DIETHYL (3-METHYLBUT-2-ENYL)MALONATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H20O4
Molecular Weight	228.2848
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIETHYL (3-METHYLBUT-2-ENYL)MALONATE

Structure Search

SMILES

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

InChI

InChIKey=UXBLYMUHQJDAFO-UHFFFAOYSA-N

InChI=1S/C12H20O4/c1-5-15-11(13)10(8-7-9(3)4)12(14)16-6-2/h7,10H,5-6,8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C12H20O4
Molecular Weight	228.2848
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 18:49:00 GMT 2025` Edited by `admin` on `Tue Apr 01 18:49:00 GMT 2025`
Record UNII	YJ45VSJ5KL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIETHYL (3-METHYLBUT-2-ENYL)MALONATE

Systematic Name

English

MALONIC ACID, (3-METHYL-2-BUTENYL)-, DIETHYL ESTER

Preferred Name

English

PROPANEDIOIC ACID, 2-(3-METHYL-2-BUTEN-1-YL)-, 1,3-DIETHYL ESTER

Systematic Name

English

DIETHYL 2-(3-METHYLBUT-2-ENYL)PROPANEDIOATE

Systematic Name

English

Code System Code Type Description

CAS

22539-80-6

Created by admin on Tue Apr 01 18:49:00 GMT 2025 , Edited by admin on Tue Apr 01 18:49:00 GMT 2025

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PUBCHEM

89748

Created by admin on Tue Apr 01 18:49:00 GMT 2025 , Edited by admin on Tue Apr 01 18:49:00 GMT 2025

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FDA UNII

YJ45VSJ5KL

Created by admin on Tue Apr 01 18:49:00 GMT 2025 , Edited by admin on Tue Apr 01 18:49:00 GMT 2025

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ECHA (EC/EINECS)

245-067-9

Created by admin on Tue Apr 01 18:49:00 GMT 2025 , Edited by admin on Tue Apr 01 18:49:00 GMT 2025

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EPA CompTox

DTXSID00177064

Created by admin on Tue Apr 01 18:49:00 GMT 2025 , Edited by admin on Tue Apr 01 18:49:00 GMT 2025

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