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Diethyl (1-decyl) phosphonate

CAT: 0127-OR10702-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR10702-01Size:250 mg
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CAS Number
16165-68-7
MDL Number
MFCD00015593
Purity
99%
Smiles
CCCCCCCCCCP (=O) (OCC) OCC

Chemical Information

Diethyl decylphosphonate
CAS Number16165-68-7
PubChem CID2773697
IUPAC Name1-diethoxyphosphoryldecane
Molecular FormulaC14H31O3P
Molecular Weight278.37
XLogP4.7
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Heavy Atom Count18
Formal Charge0
Complexity209
SMILES
CCCCCCCCCCP(=O)(OCC)OCC
InChI
InChI=1S/C14H31O3P/c1-4-7-8-9-10-11-12-13-14-18(15,16-5-2)17-6-3/h4-14H2,1-3H3
InChIKey
HYQXIVAZQBYBAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl decylphosphonate
CAS: 16165-68-7
CID: 2773697
Formula: C14H31O3P
MW: 278.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.37
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Exact Mass278.20108184
Monoisotopic Mass278.20108184
Topological Polar Surface Area35.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity209
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
TRC-D442385-1GDiethyl (1-Aminoethyl)phosphonate
sc-227828Diethyl 1-phenylethyl phosphonate
sc-234627Diethyl (1-cyanoethyl) phosphonate
AR-P31444-01Diethyl (propa-1,2-dienyl) Phosphonate
BAA06788-01Diethyl (prop-1-yn-1-yl) phosphonate
AZB19419-01Diethyl (1,1-difluoro-3-hydroxypropyl) phosphonate
274463-01Diethyl (1,3-Dithian-2-yl) phosphonate
sc-506230Diethyl (2,2,2-trifluoro-1-hydroxyethyl) phosphonate
TRC-D144640-100MGDiethyl (1-amino-2,2-dimethylpropyl)phosphonate Oxalate
NGA62686-01Diethyl [ (1-methyl-1H-pyrazol-5-yl) methyl]phosphonate

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