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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H16O
Molecular Weight 128.212
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYL-3-HEPTANONE, (+)-

SMILES

CC[C@H](C)CC(=O)CC

InChI

InChIKey=PSBKJPTZCVYXSD-ZETCQYMHSA-N
InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3/t7-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
5-METHYL-3-HEPTANONE, (+)-
Systematic Name English
(+)-5-METHYL-3-HEPTANONE
Preferred Name English
(S)-(+)-5-METHYL-3-HEPTANONE
Systematic Name English
3-HEPTANONE, 5-METHYL-, (5S)-
Systematic Name English
(5S)-5-METHYLHEPTAN-3 ONE
Systematic Name English
Code System Code Type Description
CAS
20616-93-7
Created by admin on Mon Mar 31 21:55:42 GMT 2025 , Edited by admin on Mon Mar 31 21:55:42 GMT 2025
PRIMARY
FDA UNII
Q4YD7AE57C
Created by admin on Mon Mar 31 21:55:42 GMT 2025 , Edited by admin on Mon Mar 31 21:55:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID00364932
Created by admin on Mon Mar 31 21:55:42 GMT 2025 , Edited by admin on Mon Mar 31 21:55:42 GMT 2025
PRIMARY
PUBCHEM
1715061
Created by admin on Mon Mar 31 21:55:42 GMT 2025 , Edited by admin on Mon Mar 31 21:55:42 GMT 2025
PRIMARY
NIH
NCATS
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