5,5-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 5,5-Dimethyl-3-hexanone

Structure Search

SMILES

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

InChI

InChIKey=BARYVXFFVQIMLI-UHFFFAOYSA-N

InChI=1S/C8H16O/c1-5-7(9)6-8(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 12:15:23 GMT 2025` Edited by `admin` on `Wed Apr 02 12:15:23 GMT 2025`
Record UNII	EEG3DE56T6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5,5-Dimethyl-3-hexanone

Systematic Name

English

NSC-1077

Preferred Name

English

3-Hexanone, 5,5-dimethyl-

Systematic Name

English

NSC-896

Code

English

Ethyl neopentyl ketone

Systematic Name

English

Code System Code Type Description

FDA UNII

EEG3DE56T6

Created by admin on Wed Apr 02 12:15:23 GMT 2025 , Edited by admin on Wed Apr 02 12:15:23 GMT 2025

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NSC

1077

Created by admin on Wed Apr 02 12:15:23 GMT 2025 , Edited by admin on Wed Apr 02 12:15:23 GMT 2025

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CAS

5340-30-7

Created by admin on Wed Apr 02 12:15:23 GMT 2025 , Edited by admin on Wed Apr 02 12:15:23 GMT 2025

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NSC

896

Created by admin on Wed Apr 02 12:15:23 GMT 2025 , Edited by admin on Wed Apr 02 12:15:23 GMT 2025

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EPA CompTox

DTXSID30968063

Created by admin on Wed Apr 02 12:15:23 GMT 2025 , Edited by admin on Wed Apr 02 12:15:23 GMT 2025

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PUBCHEM

219498

Created by admin on Wed Apr 02 12:15:23 GMT 2025 , Edited by admin on Wed Apr 02 12:15:23 GMT 2025

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