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

Details

Stereochemistry RACEMIC
Molecular Formula C6H14O
Molecular Weight 102.1748
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Methyl-3-pentanol, (±)-

SMILES

CCC(O)C(C)C

InChI

InChIKey=ISTJMQSHILQAEC-UHFFFAOYSA-N
InChI=1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C6H14O
Molecular Weight 102.1748
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
PVA5FLE5K2
Record Status Validated (UNII)
Record Version