trimethylsilyl 3-bis(trimethylsilyloxy)phosphanyloxy-2-trimethylsilyloxypropanoate

C15H39O6PSi4 — CID 53439539

IUPACtrimethylsilyl 3-bis(trimethylsilyloxy)phosphanyloxy-2-trimethylsilyloxypropanoate
SMILESC[Si](C)(C)OC(=O)C(COP(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H39O6PSi4/c1-23(2,3)18-14(15(16)19-24(4,5)6)13-17-22(20-25(7,8)9)21-26(10,11)12/h14H,13H2,1-12H3
InChIKeyFRTNTBSGSFPLNT-UHFFFAOYSA-N
MW458.79 g/mol
LogP5.53
Rot. Bonds11

About trimethylsilyl 3-bis(trimethylsilyloxy)phosphanyloxy-2-trimethylsilyloxypropanoate

trimethylsilyl 3-bis(trimethylsilyloxy)phosphanyloxy-2-trimethylsilyloxypropanoate (PubChem CID 53439539) has the molecular formula C15H39O6PSi4 and a molecular weight of 458.79 g/mol. Its IUPAC name is trimethylsilyl 3-bis(trimethylsilyloxy)phosphanyloxy-2-trimethylsilyloxypropanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-bis(trimethylsilyloxy)phosphanyloxy-2-trimethylsilyloxypropanoate
PubChem CID53439539
Molecular FormulaC15H39O6PSi4
Molecular Weight458.79 g/mol
Exact Mass458.16
IUPAC Nametrimethylsilyl 3-bis(trimethylsilyloxy)phosphanyloxy-2-trimethylsilyloxypropanoate
SMILESC[Si](C)(C)OC(=O)C(COP(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H39O6PSi4/c1-23(2,3)18-14(15(16)19-24(4,5)6)13-17-22(20-25(7,8)9)21-26(10,11)12/h14H,13H2,1-12H3
InChIKeyFRTNTBSGSFPLNT-UHFFFAOYSA-N
XLogP5.53
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.79
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)phosphanyloxy-2-trimethylsilyloxypropanoate?
The IUPAC name of trimethylsilyl 3-bis(trimethylsilyloxy)phosphanyloxy-2-trimethylsilyloxypropanoate (CID 53439539) is trimethylsilyl 3-bis(trimethylsilyloxy)phosphanyloxy-2-trimethylsilyloxypropanoate.
What is the SMILES notation for trimethylsilyl 3-bis(trimethylsilyloxy)phosphanyloxy-2-trimethylsilyloxypropanoate?
The canonical SMILES for trimethylsilyl 3-bis(trimethylsilyloxy)phosphanyloxy-2-trimethylsilyloxypropanoate is C[Si](C)(C)OC(=O)C(COP(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-bis(trimethylsilyloxy)phosphanyloxy-2-trimethylsilyloxypropanoate?
The InChIKey is FRTNTBSGSFPLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H39O6PSi4/c1-23(2,3)18-14(15(16)19-24(4,5)6)13-17-22(20-25(7,8)9)21-26(10,11)12/h14H,13H2,1-12H3.
What are the key properties of trimethylsilyl 3-bis(trimethylsilyloxy)phosphanyloxy-2-trimethylsilyloxypropanoate?
trimethylsilyl 3-bis(trimethylsilyloxy)phosphanyloxy-2-trimethylsilyloxypropanoate has a molecular weight of 458.79 g/mol, XLogP of 5.53, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-bis(trimethylsilyloxy)phosphanyloxy-2-trimethylsilyloxypropanoate is sourced from PubChem (CID 53439539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).