3,3-Dimethylpentane-2,4-dione

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H12O2
Molecular Weight	128.169
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,3-Dimethylpentane-2,4-dione

Structure Search

SMILES

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

InChI

InChIKey=SWGDHTSWHSSMLE-UHFFFAOYSA-N

InChI=1S/C7H12O2/c1-5(8)7(3,4)6(2)9/h1-4H3

HIDE SMILES / InChI

Molecular Formula	C7H12O2
Molecular Weight	128.169
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 19:22:15 GMT 2025` Edited by `admin` on `Tue Apr 01 19:22:15 GMT 2025`
Record UNII	NEZ3E3TQ9C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-42609

Preferred Name

English

3,3-Dimethylpentane-2,4-dione

Systematic Name

English

3,3-Dimethyl-2,4-pentanedione

Systematic Name

English

2,4-Pentanedione, 3,3-dimethyl-

Systematic Name

English

Code System Code Type Description

NSC

42609

Created by admin on Tue Apr 01 19:22:15 GMT 2025 , Edited by admin on Tue Apr 01 19:22:15 GMT 2025

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CAS

3142-58-3

Created by admin on Tue Apr 01 19:22:15 GMT 2025 , Edited by admin on Tue Apr 01 19:22:15 GMT 2025

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ECHA (EC/EINECS)

221-551-5

Created by admin on Tue Apr 01 19:22:15 GMT 2025 , Edited by admin on Tue Apr 01 19:22:15 GMT 2025

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FDA UNII

NEZ3E3TQ9C

Created by admin on Tue Apr 01 19:22:15 GMT 2025 , Edited by admin on Tue Apr 01 19:22:15 GMT 2025

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EPA CompTox

DTXSID20185348

Created by admin on Tue Apr 01 19:22:15 GMT 2025 , Edited by admin on Tue Apr 01 19:22:15 GMT 2025

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PUBCHEM

76595

Created by admin on Tue Apr 01 19:22:15 GMT 2025 , Edited by admin on Tue Apr 01 19:22:15 GMT 2025

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