[(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane

C23H35NO3Si2 — CID 57362225

About [(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane

[(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane (PubChem CID 57362225) has the molecular formula C23H35NO3Si2 and a molecular weight of 429.71 g/mol. Its IUPAC name is [(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane
• PubChem CID: 57362225
• Molecular Formula: C23H35NO3Si2
• Molecular Weight: 429.71 g/mol
• Exact Mass: 429.22
• IUPAC Name: [(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane
• SMILES: CN1CC[C@]23c4c5ccc(O[Si](C)(C)C)c4OC2C(O[Si](C)(C)C)C=C[C@H]3[C@H]1C5
• InChI: InChI=1S/C23H35NO3Si2/c1-24-13-12-23-16-9-11-19(27-29(5,6)7)22(23)25-21-18(26-28(2,3)4)10-8-15(20(21)23)14-17(16)24/h8-11,16-17,19,22H,12-14H2,1-7H3/t16-,17+,19?,22?,23-/m0/s1
• InChIKey: WGFFZYSWLVJOLB-IOFQHOHCSA-N
• XLogP: 4.57
• TPSA: 30.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.71
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 [(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane?

The IUPAC name of [(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane (CID 57362225) is [(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane.

What is the SMILES notation for [(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane?

The canonical SMILES for [(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane is CN1CC[C@]23c4c5ccc(O[Si](C)(C)C)c4OC2C(O[Si](C)(C)C)C=C[C@H]3[C@H]1C5.

What is the InChIKey of [(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane?

The InChIKey is WGFFZYSWLVJOLB-IOFQHOHCSA-N. The full InChI is InChI=1S/C23H35NO3Si2/c1-24-13-12-23-16-9-11-19(27-29(5,6)7)22(23)25-21-18(26-28(2,3)4)10-8-15(20(21)23)14-17(16)24/h8-11,16-17,19,22H,12-14H2,1-7H3/t16-,17+,19?,22?,23-/m0/s1.

What are the key properties of [(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane?

[(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane has a molecular weight of 429.71 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane is sourced from PubChem (CID 57362225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).