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1,1-Dimethoxydecane

CAT: 0572-TRC-D461670-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D461670-25GSize:25 g
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CAS Number
7779-41-1
Synonyms
Dimethyl Acetal Decanal; NSC 46132
Hazard Statement
Combustible liquid and vapour; UN number: UN3082; Packing Group: III
Purity
>95% (GC)
Smiles
CCCCCCCCCC(OC)OC
Molecular Formula
C12H26O2
Molecular Weight
202.33
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Decanal dimethyl acetal

1,1-Dimethoxydecane is an acetal.

CAS Number7779-41-1
PubChem CID24513
IUPAC Name1,1-dimethoxydecane
Molecular FormulaC12H26O2
Molecular Weight202.33
XLogP4.6
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count14
Formal Charge0
Complexity100
SMILES
CCCCCCCCCC(OC)OC
InChI
InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3
InChIKey
NCRNCSZWOOYBQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decanal dimethyl acetal
CAS: 7779-41-1
CID: 24513
Formula: C12H26O2
MW: 202.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.33
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass202.193280068
Monoisotopic Mass202.193280068
Topological Polar Surface Area18.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity100
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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