2,2-tert-Diisobutyl-1,3-propanediol
Product Information
Molecular Formula
C11H24O2
Molecular Weight
188.31
Description
2,2-tert-Diisobutyl-1,3-propanediol is a prominent biomedicine compound. Showcasing admirable prowess in pharmaceutical formulations, it reigns as the quintessential ingredient, eliciting awe-inspiring solubility and unwavering stability. Profoundly augmenting the realm of pharmacotherapy, specifically targeted at cardiovascular, gastrointestinal, and respiratory maladies, it bestows upon us the gift of amplified drug delivery and efficacy.
Synonyms
2,2-Dihydroxy-2,2-diisobutylpropane
IUPAC Name
2,2-bis(2-methylpropyl)propane-1,3-diol
SMILES
CC(C)CC(CC(C)C)(CO)CO
InChI
InChI=1S/C11H24O2/c1-9(2)5-11(7-12,8-13)6-10(3)4/h9-10,12-13H,5-8H2,1-4H3
InChI Key
PTRCHMOHGGDNIJ-UHFFFAOYSA-N
Boiling Point
160 °C / 20mmHg
Melting Point
77°C
Purity
>98.0%(GC)
Density
0.914±0.06 g/cm3(Predicted)
Appearance
White to Almost white powder to crystal
Computed Properties
XLogP3
2.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
188.177630004 g/mol
Monoisotopic Mass
188.177630004 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
114
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
