lithium bis(diethoxyphosphoryl)methyl-trimethylsilane

C12H29LiO6P2Si — CID 10428952

IUPAClithium bis(diethoxyphosphoryl)methyl-trimethylsilane
SMILESCCOP(=O)(OCC)[C-]([Si](C)(C)C)P(=O)(OCC)OCC.[Li+]
InChIInChI=1S/C12H29O6P2Si.Li/c1-8-15-19(13,16-9-2)12(21(5,6)7)20(14,17-10-3)18-11-4;/h8-11H2,1-7H3;/q-1;+1
InChIKeyWYYCCGNHYPNAKD-UHFFFAOYSA-N
MW366.33 g/mol
LogP1.89
Rot. Bonds11

About lithium bis(diethoxyphosphoryl)methyl-trimethylsilane

lithium bis(diethoxyphosphoryl)methyl-trimethylsilane (PubChem CID 10428952) has the molecular formula C12H29LiO6P2Si and a molecular weight of 366.33 g/mol. Its IUPAC name is lithium bis(diethoxyphosphoryl)methyl-trimethylsilane.

Molecular Properties

Compound Namelithium bis(diethoxyphosphoryl)methyl-trimethylsilane
PubChem CID10428952
Molecular FormulaC12H29LiO6P2Si
Molecular Weight366.33 g/mol
Exact Mass366.14
IUPAC Namelithium bis(diethoxyphosphoryl)methyl-trimethylsilane
SMILESCCOP(=O)(OCC)[C-]([Si](C)(C)C)P(=O)(OCC)OCC.[Li+]
InChIInChI=1S/C12H29O6P2Si.Li/c1-8-15-19(13,16-9-2)12(21(5,6)7)20(14,17-10-3)18-11-4;/h8-11H2,1-7H3;/q-1;+1
InChIKeyWYYCCGNHYPNAKD-UHFFFAOYSA-N
XLogP1.89
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[chloro(diethoxyphosphoryl)methyl]-ethoxyphosphoryl]oxyethane
CID 23416616
[diethoxyphosphoryl(trimethylsilyl)methyl]-trimethylsilane
CID 13199614
1-[ethoxy(ethyl)phosphoryl]oxyethane
CID 23416652
[(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane
CID 23415625
ethyl trimethylsilyl hydrogen phosphate
CID 19079822
ethyl 2-diethoxyphosphoryloxyethanesulfonate
CID 151734268
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane
CID 11062590
CID 131882906
CID 131882906
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
diaminophosphoryloxyethane
CID 12620494

Frequently Asked Questions

What is the IUPAC name of lithium bis(diethoxyphosphoryl)methyl-trimethylsilane?
The IUPAC name of lithium bis(diethoxyphosphoryl)methyl-trimethylsilane (CID 10428952) is lithium bis(diethoxyphosphoryl)methyl-trimethylsilane.
What is the SMILES notation for lithium bis(diethoxyphosphoryl)methyl-trimethylsilane?
The canonical SMILES for lithium bis(diethoxyphosphoryl)methyl-trimethylsilane is CCOP(=O)(OCC)[C-]([Si](C)(C)C)P(=O)(OCC)OCC.[Li+].
What is the InChIKey of lithium bis(diethoxyphosphoryl)methyl-trimethylsilane?
The InChIKey is WYYCCGNHYPNAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29O6P2Si.Li/c1-8-15-19(13,16-9-2)12(21(5,6)7)20(14,17-10-3)18-11-4;/h8-11H2,1-7H3;/q-1;+1.
What are the key properties of lithium bis(diethoxyphosphoryl)methyl-trimethylsilane?
lithium bis(diethoxyphosphoryl)methyl-trimethylsilane has a molecular weight of 366.33 g/mol, XLogP of 1.89, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium bis(diethoxyphosphoryl)methyl-trimethylsilane is sourced from PubChem (CID 10428952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).