diethoxymethyl-diethoxy-trimethylsilylphosphanium

C12H30O4PSi+ — CID 19379614

IUPACdiethoxymethyl-diethoxy-trimethylsilylphosphanium
SMILESCCOC(OCC)[P+](OCC)(OCC)[Si](C)(C)C
InChIInChI=1S/C12H30O4PSi/c1-8-13-12(14-9-2)17(15-10-3,16-11-4)18(5,6)7/h12H,8-11H2,1-7H3/q+1
InChIKeySIPQYMBVPKYKCS-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.10
Rot. Bonds10

About diethoxymethyl-diethoxy-trimethylsilylphosphanium

diethoxymethyl-diethoxy-trimethylsilylphosphanium (PubChem CID 19379614) has the molecular formula C12H30O4PSi+ and a molecular weight of 297.43 g/mol. Its IUPAC name is diethoxymethyl-diethoxy-trimethylsilylphosphanium.

Molecular Properties

Compound Namediethoxymethyl-diethoxy-trimethylsilylphosphanium
PubChem CID19379614
Molecular FormulaC12H30O4PSi+
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Namediethoxymethyl-diethoxy-trimethylsilylphosphanium
SMILESCCOC(OCC)[P+](OCC)(OCC)[Si](C)(C)C
InChIInChI=1S/C12H30O4PSi/c1-8-13-12(14-9-2)17(15-10-3,16-11-4)18(5,6)7/h12H,8-11H2,1-7H3/q+1
InChIKeySIPQYMBVPKYKCS-UHFFFAOYSA-N
XLogP4.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxymethyl-diethoxy-trimethylsilylphosphanium?
The IUPAC name of diethoxymethyl-diethoxy-trimethylsilylphosphanium (CID 19379614) is diethoxymethyl-diethoxy-trimethylsilylphosphanium.
What is the SMILES notation for diethoxymethyl-diethoxy-trimethylsilylphosphanium?
The canonical SMILES for diethoxymethyl-diethoxy-trimethylsilylphosphanium is CCOC(OCC)[P+](OCC)(OCC)[Si](C)(C)C.
What is the InChIKey of diethoxymethyl-diethoxy-trimethylsilylphosphanium?
The InChIKey is SIPQYMBVPKYKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30O4PSi/c1-8-13-12(14-9-2)17(15-10-3,16-11-4)18(5,6)7/h12H,8-11H2,1-7H3/q+1.
What are the key properties of diethoxymethyl-diethoxy-trimethylsilylphosphanium?
diethoxymethyl-diethoxy-trimethylsilylphosphanium has a molecular weight of 297.43 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethyl-diethoxy-trimethylsilylphosphanium is sourced from PubChem (CID 19379614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).