2,5-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 2,5-Dimethyl-3-hexanone

Structure Search

SMILES

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

InChI

InChIKey=TUIWMHDSXJWXOH-UHFFFAOYSA-N

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

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 `Tue Apr 01 20:01:39 GMT 2025` Edited by `admin` on `Tue Apr 01 20:01:39 GMT 2025`
Record UNII	S52D4H3T92
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-940

Preferred Name

English

2,5-Dimethyl-3-hexanone

Systematic Name

English

Isobutyl isopropyl ketone

Systematic Name

English

3-Hexanone, 2,5-dimethyl-

Systematic Name

English

Isopropyl isobutyl ketone

Systematic Name

English

Code System Code Type Description

NSC

940

Created by admin on Tue Apr 01 20:01:39 GMT 2025 , Edited by admin on Tue Apr 01 20:01:39 GMT 2025

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FDA UNII

S52D4H3T92

Created by admin on Tue Apr 01 20:01:39 GMT 2025 , Edited by admin on Tue Apr 01 20:01:39 GMT 2025

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EPA CompTox

DTXSID30172249

Created by admin on Tue Apr 01 20:01:39 GMT 2025 , Edited by admin on Tue Apr 01 20:01:39 GMT 2025

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PUBCHEM

15901

Created by admin on Tue Apr 01 20:01:39 GMT 2025 , Edited by admin on Tue Apr 01 20:01:39 GMT 2025

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CAS

1888-57-9

Created by admin on Tue Apr 01 20:01:39 GMT 2025 , Edited by admin on Tue Apr 01 20:01:39 GMT 2025

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