5-METHYL-2-OCTANONE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C9H18O
Molecular Weight	142.2386
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-METHYL-2-OCTANONE

Structure Search

SMILES

CCCC(C)CCC(C)=O

InChI

InChIKey=UPVLGOPSYZTLGB-UHFFFAOYSA-N

InChI=1S/C9H18O/c1-4-5-8(2)6-7-9(3)10/h8H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C9H18O
Molecular Weight	142.2386
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:36:26 GMT 2025` Edited by `admin` on `Mon Mar 31 22:36:26 GMT 2025`
Record UNII	XUT0C28KSI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-METHYL-2-OCTANONE

Systematic Name

English

2-OCTANONE, 5-METHYL-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID4041444

Created by admin on Mon Mar 31 22:36:26 GMT 2025 , Edited by admin on Mon Mar 31 22:36:26 GMT 2025

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ECHA (EC/EINECS)

261-382-4

Created by admin on Mon Mar 31 22:36:26 GMT 2025 , Edited by admin on Mon Mar 31 22:36:26 GMT 2025

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CAS

58654-67-4

Created by admin on Mon Mar 31 22:36:26 GMT 2025 , Edited by admin on Mon Mar 31 22:36:26 GMT 2025

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PUBCHEM

42802

Created by admin on Mon Mar 31 22:36:26 GMT 2025 , Edited by admin on Mon Mar 31 22:36:26 GMT 2025

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FDA UNII

XUT0C28KSI

Created by admin on Mon Mar 31 22:36:26 GMT 2025 , Edited by admin on Mon Mar 31 22:36:26 GMT 2025

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