bis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium

C20H46O9PSi2+ — CID 87404506

IUPACbis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium
SMILESCCO[Si](OCC)(OCC)C(C)(C)CO[P+](=O)OCC(C)(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C20H46O9PSi2/c1-11-24-31(25-12-2,26-13-3)19(7,8)17-22-30(21)23-18-20(9,10)32(27-14-4,28-15-5)29-16-6/h11-18H2,1-10H3/q+1
InChIKeyFAMFAPNYWPWDFM-UHFFFAOYSA-N
MW517.73 g/mol
LogP5.33
Rot. Bonds20

About bis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium

bis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium (PubChem CID 87404506) has the molecular formula C20H46O9PSi2+ and a molecular weight of 517.73 g/mol. Its IUPAC name is bis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium
PubChem CID87404506
Molecular FormulaC20H46O9PSi2+
Molecular Weight517.73 g/mol
Exact Mass517.24
IUPAC Namebis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium
SMILESCCO[Si](OCC)(OCC)C(C)(C)CO[P+](=O)OCC(C)(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C20H46O9PSi2/c1-11-24-31(25-12-2,26-13-3)19(7,8)17-22-30(21)23-18-20(9,10)32(27-14-4,28-15-5)29-16-6/h11-18H2,1-10H3/q+1
InChIKeyFAMFAPNYWPWDFM-UHFFFAOYSA-N
XLogP5.33
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.73
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-3-triethoxysilylbutyl)phosphane
CID 174985696
triethoxy(2-triethoxysilylpropan-2-yl)silane
CID 18432084
1,1-diethoxyethyl(triethoxy)silane
CID 175450759
triethoxy(2-methylnonan-2-yl)silane
CID 18999451
CID 157268042
CID 157268042
triethoxy(2,3,3-trimethylbutan-2-yl)silane
CID 18000011
CID 87651559
CID 87651559
magnesium;diethoxy(oxo)phosphanium;hydride
CID 175376025
sodium;diethoxy(oxo)phosphanium;hydride
CID 173097047
(2-ethyl-2-triethoxysilylbutyl)-oxido-oxophosphanium
CID 175037304
tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane
CID 139722194
3-methyl-2-triethoxysilylbutan-2-amine
CID 174653209

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium?
The IUPAC name of bis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium (CID 87404506) is bis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium.
What is the SMILES notation for bis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium?
The canonical SMILES for bis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium is CCO[Si](OCC)(OCC)C(C)(C)CO[P+](=O)OCC(C)(C)[Si](OCC)(OCC)OCC.
What is the InChIKey of bis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium?
The InChIKey is FAMFAPNYWPWDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O9PSi2/c1-11-24-31(25-12-2,26-13-3)19(7,8)17-22-30(21)23-18-20(9,10)32(27-14-4,28-15-5)29-16-6/h11-18H2,1-10H3/q+1.
What are the key properties of bis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium?
bis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium has a molecular weight of 517.73 g/mol, XLogP of 5.33, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-2-triethoxysilylpropoxy)-oxophosphanium is sourced from PubChem (CID 87404506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).