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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

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 Sat Dec 16 09:17:06 GMT 2023
Edited
by admin
on Sat Dec 16 09:17:06 GMT 2023
Record UNII
XUT0C28KSI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYL-2-OCTANONE
Systematic Name English
2-OCTANONE, 5-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID4041444
Created by admin on Sat Dec 16 09:17:06 GMT 2023 , Edited by admin on Sat Dec 16 09:17:06 GMT 2023
PRIMARY
ECHA (EC/EINECS)
261-382-4
Created by admin on Sat Dec 16 09:17:06 GMT 2023 , Edited by admin on Sat Dec 16 09:17:06 GMT 2023
PRIMARY
CAS
58654-67-4
Created by admin on Sat Dec 16 09:17:06 GMT 2023 , Edited by admin on Sat Dec 16 09:17:06 GMT 2023
PRIMARY
PUBCHEM
42802
Created by admin on Sat Dec 16 09:17:06 GMT 2023 , Edited by admin on Sat Dec 16 09:17:06 GMT 2023
PRIMARY
FDA UNII
XUT0C28KSI
Created by admin on Sat Dec 16 09:17:06 GMT 2023 , Edited by admin on Sat Dec 16 09:17:06 GMT 2023
PRIMARY