U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

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

SHOW SMILES / InChI
Structure of 4-Methylheptan-3-one, (4S)-

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C8H16O
Molecular Weight 128.212
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
SNT65QN5WX
Record Status Validated (UNII)
Record Version