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Isobutene Glycol

CAT: 1299-RG-I010200-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-I010200-01Size:10 mg
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CAS Number
558-43-0
Synonyms
1,1-Dimethyl-1,2-ethanediol
Molecular Formula
C4H10O2
Molecular Weight
90.12
Product Name Synonym
1,1-Dimethyl-1,2-ethanediol

Chemical Information

2-Methylpropane-1,2-diol

2-methylpropane-1,2-diol is a glycol that is 2-methylpropane in which the two hydroxy groups are located at positions 1 and 2.. It has a role as a mouse metabolite, a human xenobiotic metabolite, a bacterial xenobiotic metabolite, a human urinary metabolite and a rat metabolite. It is a glycol, a primary alcohol and a tertiary alcohol. It derives from a hydride of an isobutane.

CAS Number558-43-0
PubChem CID68410
IUPAC Name2-methylpropane-1,2-diol
Molecular FormulaC4H10O2
Molecular Weight90.12
XLogP-0.5
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity40
SMILES
CC(C)(CO)O
InChI
InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3
InChIKey
BTVWZWFKMIUSGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylpropane-1,2-diol
CAS: 558-43-0
CID: 68410
Formula: C4H10O2
MW: 90.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight90.12
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass90.068079557
Monoisotopic Mass90.068079557
Topological Polar Surface Area40.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity40.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-488333Isobutene Glycol
TRC-E890140-25ML1,2-Ethylene Glycol (Ethylene Glycol)
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T16665Triethylene glycol

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