5-METHYLHEXAN-3-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H14O
Molecular Weight	114.1855
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-METHYLHEXAN-3-ONE

Structure Search

SMILES

CCC(=O)CC(C)C

InChI

InChIKey=DXVYLFHTJZWTRF-UHFFFAOYSA-N

InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C7H14O
Molecular Weight	114.1855
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 17:48:41 GMT 2025` Edited by `admin` on `Tue Apr 01 17:48:41 GMT 2025`
Record UNII	884FC3YC2Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-HEXANONE, 5-METHYL-

Preferred Name

English

5-METHYLHEXAN-3-ONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

12187

Created by admin on Tue Apr 01 17:48:41 GMT 2025 , Edited by admin on Tue Apr 01 17:48:41 GMT 2025

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FDA UNII

884FC3YC2Q

Created by admin on Tue Apr 01 17:48:41 GMT 2025 , Edited by admin on Tue Apr 01 17:48:41 GMT 2025

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EPA CompTox

DTXSID90211360

Created by admin on Tue Apr 01 17:48:41 GMT 2025 , Edited by admin on Tue Apr 01 17:48:41 GMT 2025

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ECHA (EC/EINECS)

210-801-9

Created by admin on Tue Apr 01 17:48:41 GMT 2025 , Edited by admin on Tue Apr 01 17:48:41 GMT 2025

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CAS

623-56-3

Created by admin on Tue Apr 01 17:48:41 GMT 2025 , Edited by admin on Tue Apr 01 17:48:41 GMT 2025

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