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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H14O2.6H2O
Molecular Weight 226.2658
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PINACOL HEXAHYDRATE

SMILES

O.O.O.O.O.O.CC(C)(O)C(C)(C)O

InChI

InChIKey=LEQNJUZEJVNIIP-UHFFFAOYSA-N
InChI=1S/C6H14O2.6H2O/c1-5(2,7)6(3,4)8;;;;;;/h7-8H,1-4H3;6*1H2

HIDE SMILES / InChI

Approval Year

Name Type Language
PINACOL HEXAHYDRATE
MI  
Systematic Name English
PINACOL HEXAHYDRATE [MI]
Common Name English
2,3-BUTANEDIOL, 2,3-DIMETHYL-, HYDRATE (1:6)
Systematic Name English
2,3-BUTANEDIOL, 2,3-DIMETHYL-, HEXAHYDRATE
Systematic Name English
PINACOL HYDRATE
Systematic Name English
PINACONE HYDRATE
Common Name English
Code System Code Type Description
FDA UNII
01906GQ23R
Created by admin on Sat Dec 16 07:11:36 UTC 2023 , Edited by admin on Sat Dec 16 07:11:36 UTC 2023
PRIMARY
CAS
6091-58-3
Created by admin on Sat Dec 16 07:11:36 UTC 2023 , Edited by admin on Sat Dec 16 07:11:36 UTC 2023
PRIMARY
PUBCHEM
20268938
Created by admin on Sat Dec 16 07:11:36 UTC 2023 , Edited by admin on Sat Dec 16 07:11:36 UTC 2023
PRIMARY
MERCK INDEX
m8820
Created by admin on Sat Dec 16 07:11:36 UTC 2023 , Edited by admin on Sat Dec 16 07:11:36 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID10209749
Created by admin on Sat Dec 16 07:11:36 UTC 2023 , Edited by admin on Sat Dec 16 07:11:36 UTC 2023
PRIMARY