2-Methyldimedone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H14O2
Molecular Weight	154.2063
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Methyldimedone

Structure Search

SMILES

CC1C(=O)CC(C)(C)CC1=O

InChI

InChIKey=WJTGLPHMQKJRIX-UHFFFAOYSA-N

InChI=1S/C9H14O2/c1-6-7(10)4-9(2,3)5-8(6)11/h6H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C9H14O2
Molecular Weight	154.2063
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 12:05:02 GMT 2025` Edited by `admin` on `Wed Apr 02 12:05:02 GMT 2025`
Record UNII	QEL2HM4Z85
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-Methyldimedone

Systematic Name

English

NSC-122104

Preferred Name

English

2,5,5-Trimethyl-1,3-cyclohexanedione

Systematic Name

English

1,3-Cyclohexanedione, 2,5,5-trimethyl-

Systematic Name

English

Code System Code Type Description

PUBCHEM

136901

Created by admin on Wed Apr 02 12:05:02 GMT 2025 , Edited by admin on Wed Apr 02 12:05:02 GMT 2025

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NSC

122104

Created by admin on Wed Apr 02 12:05:02 GMT 2025 , Edited by admin on Wed Apr 02 12:05:02 GMT 2025

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FDA UNII

QEL2HM4Z85

Created by admin on Wed Apr 02 12:05:02 GMT 2025 , Edited by admin on Wed Apr 02 12:05:02 GMT 2025

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CAS

40756-30-7

Created by admin on Wed Apr 02 12:05:02 GMT 2025 , Edited by admin on Wed Apr 02 12:05:02 GMT 2025

ALTERNATIVE

CAS

1125-11-7

Created by admin on Wed Apr 02 12:05:02 GMT 2025 , Edited by admin on Wed Apr 02 12:05:02 GMT 2025

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EPA CompTox

DTXSID50150069

Created by admin on Wed Apr 02 12:05:02 GMT 2025 , Edited by admin on Wed Apr 02 12:05:02 GMT 2025

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