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5-Methyl-1,3-dioxane-5-methanol

CAT: 0013-GTR19224117-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224117-01Size:100 mg
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Description
5-Methyl-1,3-dioxane-5-methanol is a versatile small molecule building block used in organic synthesis and materials science research. It serves as a key intermediate in the development of polymers, coatings, and other functional materials for in vitro experimental applications.
CAS Number
1121-97-7
Smiles
CC1 (CO) COCOC1
Molecular Formula
C6H12O3
Molecular Weight
132.159
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Methyl-1,3-dioxane-5-methanol
CAS Number1121-97-7
PubChem CID14278
IUPAC Name(5-methyl-1,3-dioxan-5-yl)methanol
Molecular FormulaC6H12O3
Molecular Weight132.16
XLogP-0.2
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity86
SMILES
CC1(COCOC1)CO
InChI
InChI=1S/C6H12O3/c1-6(2-7)3-8-5-9-4-6/h7H,2-5H2,1H3
InChIKey
XZDDZTGNCUMJHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-1,3-dioxane-5-methanol
CAS: 1121-97-7
CID: 14278
Formula: C6H12O3
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass132.078644241
Monoisotopic Mass132.078644241
Topological Polar Surface Area38.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity86.3
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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