[(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

C36H42O5Si — CID 140673781

About [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane

[(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 140673781) has the molecular formula C36H42O5Si and a molecular weight of 582.81 g/mol. Its IUPAC name is [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
• PubChem CID: 140673781
• Molecular Formula: C36H42O5Si
• Molecular Weight: 582.81 g/mol
• Exact Mass: 582.28
• IUPAC Name: [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
• SMILES: CC1(C)O[C@H]2O[C@](C)(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](OCc3ccc4ccccc4c3)[C@H]2O1
• InChI: InChI=1S/C36H42O5Si/c1-34(2,3)42(29-17-9-7-10-18-29,30-19-11-8-12-20-30)38-25-36(6)32(31-33(41-36)40-35(4,5)39-31)37-24-26-21-22-27-15-13-14-16-28(27)23-26/h7-23,31-33H,24-25H2,1-6H3/t31-,32+,33+,36-/m1/s1
• InChIKey: CFRWBYGOAJPYSQ-ORAXTSPASA-N
• XLogP: 6.57
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.81
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?

The IUPAC name of [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane (CID 140673781) is [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane.

What is the SMILES notation for [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?

The canonical SMILES for [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is CC1(C)O[C@H]2O[C@](C)(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](OCc3ccc4ccccc4c3)[C@H]2O1.

What is the InChIKey of [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?

The InChIKey is CFRWBYGOAJPYSQ-ORAXTSPASA-N. The full InChI is InChI=1S/C36H42O5Si/c1-34(2,3)42(29-17-9-7-10-18-29,30-19-11-8-12-20-30)38-25-36(6)32(31-33(41-36)40-35(4,5)39-31)37-24-26-21-22-27-15-13-14-16-28(27)23-26/h7-23,31-33H,24-25H2,1-6H3/t31-,32+,33+,36-/m1/s1.

What are the key properties of [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane?

[(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 582.81 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 140673781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).