trimethylsilyl 3-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate

C18H43O6PSi4 — CID 3485935

IUPACtrimethylsilyl 3-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate
SMILESC[Si](C)(C)OC(=O)CCP(=O)(CC=C(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H43O6PSi4/c1-26(2,3)21-17(19)13-15-25(20,24-29(10,11)12)16-14-18(22-27(4,5)6)23-28(7,8)9/h14H,13,15-16H2,1-12H3
InChIKeySXUOSBWKNXKNHG-UHFFFAOYSA-N
MW498.85 g/mol
LogP6.43
Rot. Bonds12

About trimethylsilyl 3-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate

trimethylsilyl 3-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate (PubChem CID 3485935) has the molecular formula C18H43O6PSi4 and a molecular weight of 498.85 g/mol. Its IUPAC name is trimethylsilyl 3-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate
PubChem CID3485935
Molecular FormulaC18H43O6PSi4
Molecular Weight498.85 g/mol
Exact Mass498.19
IUPAC Nametrimethylsilyl 3-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate
SMILESC[Si](C)(C)OC(=O)CCP(=O)(CC=C(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H43O6PSi4/c1-26(2,3)21-17(19)13-15-25(20,24-29(10,11)12)16-14-18(22-27(4,5)6)23-28(7,8)9/h14H,13,15-16H2,1-12H3
InChIKeySXUOSBWKNXKNHG-UHFFFAOYSA-N
XLogP6.43
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.85
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate?
The IUPAC name of trimethylsilyl 3-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate (CID 3485935) is trimethylsilyl 3-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate.
What is the SMILES notation for trimethylsilyl 3-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate?
The canonical SMILES for trimethylsilyl 3-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate is C[Si](C)(C)OC(=O)CCP(=O)(CC=C(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate?
The InChIKey is SXUOSBWKNXKNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H43O6PSi4/c1-26(2,3)21-17(19)13-15-25(20,24-29(10,11)12)16-14-18(22-27(4,5)6)23-28(7,8)9/h14H,13,15-16H2,1-12H3.
What are the key properties of trimethylsilyl 3-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate?
trimethylsilyl 3-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate has a molecular weight of 498.85 g/mol, XLogP of 6.43, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-[3,3-bis(trimethylsilyloxy)prop-2-enyl-trimethylsilyloxyphosphoryl]propanoate is sourced from PubChem (CID 3485935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).