3,4-Dimethyl-2-hexanone

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NCATS

Details

Stereochemistry	MIXED
Molecular Formula	C8H16O
Molecular Weight	128.212
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-Dimethyl-2-hexanone

Structure Search

SMILES

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

InChI

InChIKey=YGXOERUAAWTDEV-UHFFFAOYSA-N

InChI=1S/C8H16O/c1-5-6(2)7(3)8(4)9/h6-7H,5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C8H16O
Molecular Weight	128.212
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:15:11 GMT 2025` Edited by `admin` on `Wed Apr 02 12:15:11 GMT 2025`
Record UNII	PYU5QA4J6F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-103150

Preferred Name

English

3,4-Dimethyl-2-hexanone

Systematic Name

English

2-Hexanone, 3,4-dimethyl-

Systematic Name

English

Code System Code Type Description

PUBCHEM

89184

Created by admin on Wed Apr 02 12:15:11 GMT 2025 , Edited by admin on Wed Apr 02 12:15:11 GMT 2025

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EPA CompTox

DTXSID30871301

Created by admin on Wed Apr 02 12:15:11 GMT 2025 , Edited by admin on Wed Apr 02 12:15:11 GMT 2025

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NSC

103150

Created by admin on Wed Apr 02 12:15:11 GMT 2025 , Edited by admin on Wed Apr 02 12:15:11 GMT 2025

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FDA UNII

PYU5QA4J6F

Created by admin on Wed Apr 02 12:15:11 GMT 2025 , Edited by admin on Wed Apr 02 12:15:11 GMT 2025

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CAS

19550-10-8

Created by admin on Wed Apr 02 12:15:11 GMT 2025 , Edited by admin on Wed Apr 02 12:15:11 GMT 2025

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