Pinacol hexahydrate

C₆H₂₆O₈CAS 6091-58-3226.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂₆O₈
Molar mass: 226.27 g/mol
Exact mass: 226.1628 Da
logP: -4.42Crippen estimate
Polar surface area: 229.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6091-58-3

SMILES

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

InChIKey

LEQNJUZEJVNIIP-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

2,3-Dimethylbutane-2,3-diol;hexahydrate
Pinacol hydrate
Pinacone hydrate
2,3-Butanediol, 2,3-dimethyl-, hexahydrate
2,3-Dimethylbutane-2,3-diol hexahydrate

Reactions

Pinacol hydrateproduct

Work with Pinacol hexahydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pinacol76-09-5Anhydrous

Similar compounds

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate6001-64-561 % similar 1,1,1-Trifluoro-2-methylpropan-2-ol507-52-844 % similar Chlorobutanol57-15-844 % similar tert-Butyl alcohol75-65-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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