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

CAT: 0931-T29459-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29459-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1121-97-7
Target
Others
Related Pathways
Others
Bioactivity
5-Methyl-1,3-dioxane-5-methanol is a bioactive chemical.
Smiles
CC1(CO)COCOC1
Molecular Formula
C6H12O3
Molecular Weight
132.159
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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Alternative Products

CatalogName
GTR19224117-015-Methyl-1,3-dioxane-5-methanol
sc-2390415-Ethyl-1,3-dioxane-5-methanol
FD70355-012,2-Dimethyl-1,3-dioxane-5-methyl-5-methanol
OR979605-Methyl-1,3-dioxane-5-carboxylic acid
TRC-E322780-500MGcis-5-Ethyl-2-(2-furanyl)-1,3-dioxane-5-methanol
FM157415-015-Methyl-2- (1-methylbutyl) -5-propyl-1,3-dioxane
AAA872985,5-Dimethyl-1,3-dioxane
TRC-D263485-100MG1,3-Dioxane-5,5-dimethanol
sc-278245(5-Methyl-1,3-dioxan-5-yl) methanol
OR1040112-015-Methyl-2-oxo-1,3-dioxane-5-carboxylic acid

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