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

Details

Stereochemistry ABSOLUTE
Molecular Formula C5H12O2
Molecular Weight 104.1476
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-1,2-BUTANEDIOL, (2S)-

SMILES

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

InChI

InChIKey=HJJZIMFAIMUSBW-RXMQYKEDSA-N
InChI=1S/C5H12O2/c1-4(2)5(7)3-6/h4-7H,3H2,1-2H3/t5-/m1/s1

HIDE SMILES / InChI

Molecular Formula C5H12O2
Molecular Weight 104.1476
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:31:38 GMT 2023
Edited
by admin
on Sat Dec 16 11:31:38 GMT 2023
Record UNII
ZP64AX90LZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-1,2-BUTANEDIOL, (2S)-
Systematic Name English
(S)-3-METHYLBUTANE-1,2-DIOL
Systematic Name English
1,2-BUTANEDIOL, 3-METHYL-, (2S)-
Systematic Name English
1,2-BUTANEDIOL, 3-METHYL-, (S)-(+)-
Systematic Name English
(2S)-3-METHYL-1,2-BUTANEDIOL
Systematic Name English
1,2-BUTANEDIOL, 3-METHYL-, (S)-
Systematic Name English
3-METHYLBUTANE-1,2-DIOL, (2S)-
Systematic Name English
3-METHYL-1,2-BUTANEDIOL, (+)-
Systematic Name English
Code System Code Type Description
FDA UNII
ZP64AX90LZ
Created by admin on Sat Dec 16 11:31:38 GMT 2023 , Edited by admin on Sat Dec 16 11:31:38 GMT 2023
PRIMARY
CAS
24347-56-6
Created by admin on Sat Dec 16 11:31:38 GMT 2023 , Edited by admin on Sat Dec 16 11:31:38 GMT 2023
PRIMARY
PUBCHEM
11094555
Created by admin on Sat Dec 16 11:31:38 GMT 2023 , Edited by admin on Sat Dec 16 11:31:38 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER