Dimethyl [2-(diethoxysilyl)ethyl]phosphonate

C8H20O5PSi — CID 86246824

IUPAC—
SMILESCCO[Si](CCP(=O)(OC)OC)OCC
InChIInChI=1S/C8H20O5PSi/c1-5-12-15(13-6-2)8-7-14(9,10-3)11-4/h5-8H2,1-4H3
InChIKeyVSYRMWOUEGXFNQ-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.03
Rot. Bonds9

About Dimethyl [2-(diethoxysilyl)ethyl]phosphonate

Dimethyl [2-(diethoxysilyl)ethyl]phosphonate (PubChem CID 86246824) has the molecular formula C8H20O5PSi and a molecular weight of 255.30 g/mol.

Molecular Properties

Compound NameDimethyl [2-(diethoxysilyl)ethyl]phosphonate
PubChem CID86246824
Molecular FormulaC8H20O5PSi
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name—
SMILESCCO[Si](CCP(=O)(OC)OC)OCC
InChIInChI=1S/C8H20O5PSi/c1-5-12-15(13-6-2)8-7-14(9,10-3)11-4/h5-8H2,1-4H3
InChIKeyVSYRMWOUEGXFNQ-UHFFFAOYSA-N
XLogP2.03
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[ethoxy(methoxy)phosphoryl]butane
CID 86081258
1-[methoxy(propyl)phosphoryl]oxypropane
CID 587089
1-[fluoromethyl(methoxy)phosphoryl]oxyethane
CID 13426238
CID 59245328
CID 59245328
dimethoxyphosphorylmethanamine
CID 13310504
1-dimethoxyphosphoryloctan-3-one
CID 102517826
1-dimethoxyphosphoryl-4-methylpentan-3-one
CID 72546240
1-[dibutoxyphosphorylmethyl(methoxy)phosphoryl]oxybutane
CID 23044732
3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane
CID 170264565
5-(3-dimethoxyphosphorylpropoxy)pentan-2-one
CID 58849456
2-diethoxyphosphorylethanamine;hydrochloride
CID 21435836
1-dimethoxyphosphoryltridecan-3-ol
CID 10425403

Frequently Asked Questions

What is the IUPAC name of Dimethyl [2-(diethoxysilyl)ethyl]phosphonate?
The IUPAC name of Dimethyl [2-(diethoxysilyl)ethyl]phosphonate (CID 86246824) is not available.
What is the SMILES notation for Dimethyl [2-(diethoxysilyl)ethyl]phosphonate?
The canonical SMILES for Dimethyl [2-(diethoxysilyl)ethyl]phosphonate is CCO[Si](CCP(=O)(OC)OC)OCC.
What is the InChIKey of Dimethyl [2-(diethoxysilyl)ethyl]phosphonate?
The InChIKey is VSYRMWOUEGXFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O5PSi/c1-5-12-15(13-6-2)8-7-14(9,10-3)11-4/h5-8H2,1-4H3.
What are the key properties of Dimethyl [2-(diethoxysilyl)ethyl]phosphonate?
Dimethyl [2-(diethoxysilyl)ethyl]phosphonate has a molecular weight of 255.30 g/mol, XLogP of 2.03, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Dimethyl [2-(diethoxysilyl)ethyl]phosphonate is sourced from PubChem (CID 86246824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).