[tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate

C33H37NO5Si — CID 16638863

About [tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate

[tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate (PubChem CID 16638863) has the molecular formula C33H37NO5Si and a molecular weight of 555.75 g/mol. Its IUPAC name is [tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate.

Molecular Properties

• Compound Name: [tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate
• PubChem CID: 16638863
• Molecular Formula: C33H37NO5Si
• Molecular Weight: 555.75 g/mol
• Exact Mass: 555.24
• IUPAC Name: [tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate
• SMILES: COc1ccc2c3c1OC1C[C@@H](O)C=CC31CCN(C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C2
• InChI: InChI=1S/C33H37NO5Si/c1-32(2,3)40(25-11-7-5-8-12-25,26-13-9-6-10-14-26)39-31(36)34-20-19-33-18-17-24(35)21-28(33)38-30-27(37-4)16-15-23(22-34)29(30)33/h5-18,24,28,35H,19-22H2,1-4H3/t24-,28?,33?/m0/s1
• InChIKey: AKYIFWZTONJCKA-NHBSCRDWSA-N
• XLogP: 4.92
• TPSA: 68.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.75
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
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 [tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate?

The IUPAC name of [tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate (CID 16638863) is [tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate.

What is the SMILES notation for [tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate?

The canonical SMILES for [tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate is COc1ccc2c3c1OC1C[C@@H](O)C=CC31CCN(C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C2.

What is the InChIKey of [tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate?

The InChIKey is AKYIFWZTONJCKA-NHBSCRDWSA-N. The full InChI is InChI=1S/C33H37NO5Si/c1-32(2,3)40(25-11-7-5-8-12-25,26-13-9-6-10-14-26)39-31(36)34-20-19-33-18-17-24(35)21-28(33)38-30-27(37-4)16-15-23(22-34)29(30)33/h5-18,24,28,35H,19-22H2,1-4H3/t24-,28?,33?/m0/s1.

What are the key properties of [tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate?

[tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate has a molecular weight of 555.75 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate is sourced from PubChem (CID 16638863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).