[(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane

C18H21OPSi — CID 13301412

IUPAC[(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane
SMILESC[Si](C)(C)O/C(=P/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21OPSi/c1-21(2,3)19-18(17-12-8-5-9-13-17)20-15-14-16-10-6-4-7-11-16/h4-15H,1-3H3/b15-14+
InChIKeyUXBSDZDTJMTIIT-CCEZHUSRSA-N
MW312.43 g/mol
LogP5.63
Rot. Bonds5

About [(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane

[(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane (PubChem CID 13301412) has the molecular formula C18H21OPSi and a molecular weight of 312.43 g/mol. Its IUPAC name is [(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane.

Molecular Properties

Compound Name[(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane
PubChem CID13301412
Molecular FormulaC18H21OPSi
Molecular Weight312.43 g/mol
Exact Mass312.11
IUPAC Name[(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane
SMILESC[Si](C)(C)O/C(=P/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21OPSi/c1-21(2,3)19-18(17-12-8-5-9-13-17)20-15-14-16-10-6-4-7-11-16/h4-15H,1-3H3/b15-14+
InChIKeyUXBSDZDTJMTIIT-CCEZHUSRSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.43
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane?
The IUPAC name of [(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane (CID 13301412) is [(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane.
What is the SMILES notation for [(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane?
The canonical SMILES for [(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane is C[Si](C)(C)O/C(=P/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane?
The InChIKey is UXBSDZDTJMTIIT-CCEZHUSRSA-N. The full InChI is InChI=1S/C18H21OPSi/c1-21(2,3)19-18(17-12-8-5-9-13-17)20-15-14-16-10-6-4-7-11-16/h4-15H,1-3H3/b15-14+.
What are the key properties of [(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane?
[(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane has a molecular weight of 312.43 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-phenylethenyl]-[phenyl(trimethylsilyloxy)methylidene]phosphane is sourced from PubChem (CID 13301412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).