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1,3-Dioxane, 4-methyl-2-propyl-

CAT: 0931-T29280-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29280-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1745-87-5
Target
Others
Related Pathways
Others
Bioactivity
1,3-Dioxane, 4-methyl-2-propyl- is a bioactive chemical.
Smiles
CCCC1OCCC(C)O1
Molecular Formula
C8H16O2
Molecular Weight
144.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,3-Dioxane, 4-methyl-2-propyl-
CAS Number1745-87-5
PubChem CID95403
IUPAC Name4-methyl-2-propyl-1,3-dioxane
Molecular FormulaC8H16O2
Molecular Weight144.21
XLogP1.9
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity93
SMILES
CCCC1OCCC(O1)C
InChI
InChI=1S/C8H16O2/c1-3-4-8-9-6-5-7(2)10-8/h7-8H,3-6H2,1-2H3
InChIKey
AHJYOYDRGYJRDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dioxane, 4-methyl-2-propyl-
CAS: 1745-87-5
CID: 95403
Formula: C8H16O2
MW: 144.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.21
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass144.115029749
Monoisotopic Mass144.115029749
Topological Polar Surface Area18.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity93.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS57789341,3-Dioxane, 4-methyl-2-propyl-
FM157415-015-Methyl-2- (1-methylbutyl) -5-propyl-1,3-dioxane
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MBS57729921,3-Dioxane, 4-methyl-
MBS57789331,3-Dioxane, 4-methyl-2-phenyl-
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sc-2652392- (4-Cyanophenyl) -5-n-propyl-1,3-dioxane
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