[3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid

C13H33O5PSi3 — CID 173389263

IUPAC[3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid
SMILESCOC(=CC([Si](C)(C)C)([Si](C)(C)C)P(=O)(O)O)O[Si](C)(C)C
InChIInChI=1S/C13H33O5PSi3/c1-17-12(18-22(8,9)10)11-13(19(14,15)16,20(2,3)4)21(5,6)7/h11H,1-10H3,(H2,14,15,16)
InChIKeySSHXEJNFZYMNRV-UHFFFAOYSA-N
MW384.63 g/mol
LogP4.00
Rot. Bonds7

About [3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid

[3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid (PubChem CID 173389263) has the molecular formula C13H33O5PSi3 and a molecular weight of 384.63 g/mol. Its IUPAC name is [3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid.

Molecular Properties

Compound Name[3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid
PubChem CID173389263
Molecular FormulaC13H33O5PSi3
Molecular Weight384.63 g/mol
Exact Mass384.14
IUPAC Name[3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid
SMILESCOC(=CC([Si](C)(C)C)([Si](C)(C)C)P(=O)(O)O)O[Si](C)(C)C
InChIInChI=1S/C13H33O5PSi3/c1-17-12(18-22(8,9)10)11-13(19(14,15)16,20(2,3)4)21(5,6)7/h11H,1-10H3,(H2,14,15,16)
InChIKeySSHXEJNFZYMNRV-UHFFFAOYSA-N
XLogP4.00
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.63
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid?
The IUPAC name of [3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid (CID 173389263) is [3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid.
What is the SMILES notation for [3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid?
The canonical SMILES for [3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid is COC(=CC([Si](C)(C)C)([Si](C)(C)C)P(=O)(O)O)O[Si](C)(C)C.
What is the InChIKey of [3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid?
The InChIKey is SSHXEJNFZYMNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33O5PSi3/c1-17-12(18-22(8,9)10)11-13(19(14,15)16,20(2,3)4)21(5,6)7/h11H,1-10H3,(H2,14,15,16).
What are the key properties of [3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid?
[3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid has a molecular weight of 384.63 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-1,1-bis(trimethylsilyl)-3-trimethylsilyloxyprop-2-enyl]phosphonic acid is sourced from PubChem (CID 173389263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).