trimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane

C12H36O12P4Si4 — CID 12781801

IUPACtrimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane
SMILESC[Si](C)(C)OP1(=O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O1
InChIInChI=1S/C12H36O12P4Si4/c1-29(2,3)21-25(13)17-26(14,22-30(4,5)6)19-28(16,24-32(10,11)12)20-27(15,18-25)23-31(7,8)9/h1-12H3
InChIKeyOCTCLYIQRQYREO-UHFFFAOYSA-N
MW608.65 g/mol
LogP7.90
Rot. Bonds8

About trimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane

trimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane (PubChem CID 12781801) has the molecular formula C12H36O12P4Si4 and a molecular weight of 608.65 g/mol. Its IUPAC name is trimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane
PubChem CID12781801
Molecular FormulaC12H36O12P4Si4
Molecular Weight608.65 g/mol
Exact Mass608.02
IUPAC Nametrimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane
SMILESC[Si](C)(C)OP1(=O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O1
InChIInChI=1S/C12H36O12P4Si4/c1-29(2,3)21-25(13)17-26(14,22-30(4,5)6)19-28(16,24-32(10,11)12)20-27(15,18-25)23-31(7,8)9/h1-12H3
InChIKeyOCTCLYIQRQYREO-UHFFFAOYSA-N
XLogP7.90
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500608.65
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane?
The IUPAC name of trimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane (CID 12781801) is trimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane?
The canonical SMILES for trimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane is C[Si](C)(C)OP1(=O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O1.
What is the InChIKey of trimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane?
The InChIKey is OCTCLYIQRQYREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H36O12P4Si4/c1-29(2,3)21-25(13)17-26(14,22-30(4,5)6)19-28(16,24-32(10,11)12)20-27(15,18-25)23-31(7,8)9/h1-12H3.
What are the key properties of trimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane?
trimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane has a molecular weight of 608.65 g/mol, XLogP of 7.90, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[2,4,6,8-tetraoxo-4,6,8-tris(trimethylsilyloxy)-1,3,5,7,2lambda5,4lambda5,6lambda5,8lambda5-tetraoxatetraphosphocan-2-yl]oxy]silane is sourced from PubChem (CID 12781801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).