2,2-Dimethyl-3-hexanone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H16O
Molecular Weight	128.212
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2-Dimethyl-3-hexanone

Structure Search

SMILES

CCCC(=O)C(C)(C)C

InChI

InChIKey=PYCHXHVFOZBVEY-UHFFFAOYSA-N

InChI=1S/C8H16O/c1-5-6-7(9)8(2,3)4/h5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C8H16O
Molecular Weight	128.212
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 14:44:46 GMT 2025` Edited by `admin` on `Wed Apr 02 14:44:46 GMT 2025`
Record UNII	775H4CM59G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2-Dimethyl-3-hexanone

Systematic Name

English

NSC-5229

Preferred Name

English

3-Hexanone, 2,2-dimethyl-

Systematic Name

English

tert-Butyl propyl ketone

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60277953

Created by admin on Wed Apr 02 14:44:46 GMT 2025 , Edited by admin on Wed Apr 02 14:44:46 GMT 2025

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NSC

5229

Created by admin on Wed Apr 02 14:44:46 GMT 2025 , Edited by admin on Wed Apr 02 14:44:46 GMT 2025

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FDA UNII

775H4CM59G

Created by admin on Wed Apr 02 14:44:46 GMT 2025 , Edited by admin on Wed Apr 02 14:44:46 GMT 2025

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PUBCHEM

221168

Created by admin on Wed Apr 02 14:44:46 GMT 2025 , Edited by admin on Wed Apr 02 14:44:46 GMT 2025

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CAS

5405-79-8

Created by admin on Wed Apr 02 14:44:46 GMT 2025 , Edited by admin on Wed Apr 02 14:44:46 GMT 2025

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