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1,1-Diethoxydecane

CAT: 0013-GTR19224242-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224242-02Size:50 mg
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Description
1,1-Diethoxydecane is a synthetic acetal compound used in organic synthesis and as a precursor in fragrance research. It serves as a model substrate in studies of hydrolysis and chemical transformations, finding application in both in vitro analytical chemistry and materials science investigations.
CAS Number
34764-02-8
Smiles
O (CC) C (OCC) CCCCCCCCC
Molecular Formula
C14H30O2
Molecular Weight
230.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,1-Diethoxydecane
CAS Number34764-02-8
PubChem CID101363
IUPAC Name1,1-diethoxydecane
Molecular FormulaC14H30O2
Molecular Weight230.39
XLogP5.3
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count16
Formal Charge0
Complexity120
SMILES
CCCCCCCCCC(OCC)OCC
InChI
InChI=1S/C14H30O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h14H,4-13H2,1-3H3
InChIKey
GDDPLWAEEWIQKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1-Diethoxydecane
CAS: 34764-02-8
CID: 101363
Formula: C14H30O2
MW: 230.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.39
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass230.224580195
Monoisotopic Mass230.224580195
Topological Polar Surface Area18.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity120
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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