trimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate

C12H31O5PSi3 — CID 631963

IUPACtrimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate
SMILESC[Si](C)(C)OC(=O)CCP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H31O5PSi3/c1-19(2,3)15-12(13)10-11-18(14,16-20(4,5)6)17-21(7,8)9/h10-11H2,1-9H3
InChIKeyWTNHBTKRQASLKG-UHFFFAOYSA-N
MW370.61 g/mol
LogP4.65
Rot. Bonds8

About trimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate

trimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate (PubChem CID 631963) has the molecular formula C12H31O5PSi3 and a molecular weight of 370.61 g/mol. Its IUPAC name is trimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate
PubChem CID631963
Molecular FormulaC12H31O5PSi3
Molecular Weight370.61 g/mol
Exact Mass370.12
IUPAC Nametrimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate
SMILESC[Si](C)(C)OC(=O)CCP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H31O5PSi3/c1-19(2,3)15-12(13)10-11-18(14,16-20(4,5)6)17-21(7,8)9/h10-11H2,1-9H3
InChIKeyWTNHBTKRQASLKG-UHFFFAOYSA-N
XLogP4.65
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 trimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate?
The IUPAC name of trimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate (CID 631963) is trimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate.
What is the SMILES notation for trimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate?
The canonical SMILES for trimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate is C[Si](C)(C)OC(=O)CCP(=O)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate?
The InChIKey is WTNHBTKRQASLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31O5PSi3/c1-19(2,3)15-12(13)10-11-18(14,16-20(4,5)6)17-21(7,8)9/h10-11H2,1-9H3.
What are the key properties of trimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate?
trimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate has a molecular weight of 370.61 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-bis(trimethylsilyloxy)phosphorylpropanoate is sourced from PubChem (CID 631963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).