2-diethylphosphorylethyl-diethoxy-ethylsilane

C12H29O3PSi — CID 13356474

IUPAC2-diethylphosphorylethyl-diethoxy-ethylsilane
SMILESCCO[Si](CC)(CCP(=O)(CC)CC)OCC
InChIInChI=1S/C12H29O3PSi/c1-6-14-17(10-5,15-7-2)12-11-16(13,8-3)9-4/h6-12H2,1-5H3
InChIKeySQKLYMNJRBDIBD-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.92
Rot. Bonds10

About 2-diethylphosphorylethyl-diethoxy-ethylsilane

2-diethylphosphorylethyl-diethoxy-ethylsilane (PubChem CID 13356474) has the molecular formula C12H29O3PSi and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-diethylphosphorylethyl-diethoxy-ethylsilane.

Molecular Properties

Compound Name2-diethylphosphorylethyl-diethoxy-ethylsilane
PubChem CID13356474
Molecular FormulaC12H29O3PSi
Molecular Weight280.42 g/mol
Exact Mass280.16
IUPAC Name2-diethylphosphorylethyl-diethoxy-ethylsilane
SMILESCCO[Si](CC)(CCP(=O)(CC)CC)OCC
InChIInChI=1S/C12H29O3PSi/c1-6-14-17(10-5,15-7-2)12-11-16(13,8-3)9-4/h6-12H2,1-5H3
InChIKeySQKLYMNJRBDIBD-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-diethylphosphorylethoxy-diethoxy-ethylsilane
CID 154585184
3-[diethoxy(ethyl)silyl]propyl-diethoxy-ethylsilane
CID 20761011
diethoxy-ethyl-(2-triethylsilylethyl)silane
CID 87220770
1,2-bis(diethylphosphoryl)ethane
CID 22892167
3-[diethoxy(ethyl)silyl]-N-methylpropan-1-amine
CID 141338832
2-diethylphosphorylethyl-tri(propan-2-yloxy)silane
CID 141433181
diethoxy-ethyl-hexacosylsilane
CID 153322873
diethoxy-ethyl-tetradecylsilane
CID 139614055
diethoxy-[2-(ethoxy-ethyl-methylsilyl)ethyl]-ethylsilane
CID 58151780
4-[diethoxy(ethyl)silyl]butane-1-thiol
CID 18369741
12-[diethoxy(ethyl)silyl]dodecane-1-thiol
CID 87831762
chloromethyl-diethoxy-ethylsilane
CID 87219882

Frequently Asked Questions

What is the IUPAC name of 2-diethylphosphorylethyl-diethoxy-ethylsilane?
The IUPAC name of 2-diethylphosphorylethyl-diethoxy-ethylsilane (CID 13356474) is 2-diethylphosphorylethyl-diethoxy-ethylsilane.
What is the SMILES notation for 2-diethylphosphorylethyl-diethoxy-ethylsilane?
The canonical SMILES for 2-diethylphosphorylethyl-diethoxy-ethylsilane is CCO[Si](CC)(CCP(=O)(CC)CC)OCC.
What is the InChIKey of 2-diethylphosphorylethyl-diethoxy-ethylsilane?
The InChIKey is SQKLYMNJRBDIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29O3PSi/c1-6-14-17(10-5,15-7-2)12-11-16(13,8-3)9-4/h6-12H2,1-5H3.
What are the key properties of 2-diethylphosphorylethyl-diethoxy-ethylsilane?
2-diethylphosphorylethyl-diethoxy-ethylsilane has a molecular weight of 280.42 g/mol, XLogP of 3.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethylphosphorylethyl-diethoxy-ethylsilane is sourced from PubChem (CID 13356474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).