[(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane

C30H47O6PSi2 — CID 10769739

About [(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane

[(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane (PubChem CID 10769739) has the molecular formula C30H47O6PSi2 and a molecular weight of 590.85 g/mol. Its IUPAC name is [(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane.

Molecular Properties

• Compound Name: [(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane
• PubChem CID: 10769739
• Molecular Formula: C30H47O6PSi2
• Molecular Weight: 590.85 g/mol
• Exact Mass: 590.26
• IUPAC Name: [(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane
• SMILES: CO[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@H]1OP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H47O6PSi2/c1-21(2)38(22(3)4)32-20-27-28(35-39(36-38,23(5)6)24(7)8)29(30(31-9)33-27)34-37(25-16-12-10-13-17-25)26-18-14-11-15-19-26/h10-19,21-24,27-30H,20H2,1-9H3/t27-,28-,29-,30-/m1/s1
• InChIKey: GTBNJQUGSVHSKC-SKKKGAJSSA-N
• XLogP: 6.75
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.85
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 [(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane?

The IUPAC name of [(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane (CID 10769739) is [(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane.

What is the SMILES notation for [(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane?

The canonical SMILES for [(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane is CO[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@H]1OP(c1ccccc1)c1ccccc1.

What is the InChIKey of [(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane?

The InChIKey is GTBNJQUGSVHSKC-SKKKGAJSSA-N. The full InChI is InChI=1S/C30H47O6PSi2/c1-21(2)38(22(3)4)32-20-27-28(35-39(36-38,23(5)6)24(7)8)29(30(31-9)33-27)34-37(25-16-12-10-13-17-25)26-18-14-11-15-19-26/h10-19,21-24,27-30H,20H2,1-9H3/t27-,28-,29-,30-/m1/s1.

What are the key properties of [(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane?

[(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane has a molecular weight of 590.85 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane is sourced from PubChem (CID 10769739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).