[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

C33H40O5Si — CID 42624752

About [(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 42624752) has the molecular formula C33H40O5Si and a molecular weight of 544.76 g/mol. Its IUPAC name is [(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: [(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
• PubChem CID: 42624752
• Molecular Formula: C33H40O5Si
• Molecular Weight: 544.76 g/mol
• Exact Mass: 544.26
• IUPAC Name: [(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
• SMILES: C=C[C@@]12O[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](OCc3ccccc3)[C@@H]1OC(C)(C)O2
• InChI: InChI=1S/C33H40O5Si/c1-7-33-30(37-32(5,6)38-33)29(34-23-25-17-11-8-12-18-25)28(36-33)24-35-39(31(2,3)4,26-19-13-9-14-20-26)27-21-15-10-16-22-27/h7-22,28-30H,1,23-24H2,2-6H3/t28-,29+,30-,33-/m0/s1
• InChIKey: HJTZDMNOVRIUFF-MJOCGKAJSA-N
• XLogP: 5.58
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.76
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?

The IUPAC name of [(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (CID 42624752) is [(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.

What is the SMILES notation for [(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?

The canonical SMILES for [(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is C=C[C@@]12O[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](OCc3ccccc3)[C@@H]1OC(C)(C)O2.

What is the InChIKey of [(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?

The InChIKey is HJTZDMNOVRIUFF-MJOCGKAJSA-N. The full InChI is InChI=1S/C33H40O5Si/c1-7-33-30(37-32(5,6)38-33)29(34-23-25-17-11-8-12-18-25)28(36-33)24-35-39(31(2,3)4,26-19-13-9-14-20-26)27-21-15-10-16-22-27/h7-22,28-30H,1,23-24H2,2-6H3/t28-,29+,30-,33-/m0/s1.

What are the key properties of [(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?

[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 544.76 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 42624752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).