[(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane

C30H43O2PSi — CID 23253590

About [(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane

[(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane (PubChem CID 23253590) has the molecular formula C30H43O2PSi and a molecular weight of 494.73 g/mol. Its IUPAC name is [(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane
• PubChem CID: 23253590
• Molecular Formula: C30H43O2PSi
• Molecular Weight: 494.73 g/mol
• Exact Mass: 494.28
• IUPAC Name: [(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane
• SMILES: C=C1CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C/C1=C/CP(=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H43O2PSi/c1-23(2)34(24(3)4,25(5)6)32-28-19-18-26(7)27(22-28)20-21-33(31,29-14-10-8-11-15-29)30-16-12-9-13-17-30/h8-17,20,23-25,28H,7,18-19,21-22H2,1-6H3/b27-20-/t28-/m0/s1
• InChIKey: AVDSOLJOMJUCIJ-HGOOZHEOSA-N
• XLogP: 8.23
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.73
LogP ≤ 5	8.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane?

The IUPAC name of [(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane (CID 23253590) is [(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane.

What is the SMILES notation for [(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane?

The canonical SMILES for [(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane is C=C1CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C/C1=C/CP(=O)(c1ccccc1)c1ccccc1.

What is the InChIKey of [(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane?

The InChIKey is AVDSOLJOMJUCIJ-HGOOZHEOSA-N. The full InChI is InChI=1S/C30H43O2PSi/c1-23(2)34(24(3)4,25(5)6)32-28-19-18-26(7)27(22-28)20-21-33(31,29-14-10-8-11-15-29)30-16-12-9-13-17-30/h8-17,20,23-25,28H,7,18-19,21-22H2,1-6H3/b27-20-/t28-/m0/s1.

What are the key properties of [(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane?

[(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane has a molecular weight of 494.73 g/mol, XLogP of 8.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 23253590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).