3,4,4-Trimethyl-2-pentanone

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C8H16O
Molecular Weight	128.212
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4,4-Trimethyl-2-pentanone

Structure Search

SMILES

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

InChI

InChIKey=RAQLTZBGPDCFJW-UHFFFAOYSA-N

InChI=1S/C8H16O/c1-6(7(2)9)8(3,4)5/h6H,1-5H3

HIDE SMILES / InChI

Molecular Formula	C8H16O
Molecular Weight	128.212
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:44:47 GMT 2025` Edited by `admin` on `Wed Apr 02 14:44:47 GMT 2025`
Record UNII	DH96M45PJC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4,4-Trimethyl-2-pentanone

Systematic Name

English

NSC-912

Preferred Name

English

2-Pentanone, 3,4,4-trimethyl-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70277121

Created by admin on Wed Apr 02 14:44:47 GMT 2025 , Edited by admin on Wed Apr 02 14:44:47 GMT 2025

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NSC

912

Created by admin on Wed Apr 02 14:44:47 GMT 2025 , Edited by admin on Wed Apr 02 14:44:47 GMT 2025

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CAS

5340-45-4

Created by admin on Wed Apr 02 14:44:47 GMT 2025 , Edited by admin on Wed Apr 02 14:44:47 GMT 2025

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PUBCHEM

219506

Created by admin on Wed Apr 02 14:44:47 GMT 2025 , Edited by admin on Wed Apr 02 14:44:47 GMT 2025

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FDA UNII

DH96M45PJC

Created by admin on Wed Apr 02 14:44:47 GMT 2025 , Edited by admin on Wed Apr 02 14:44:47 GMT 2025

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