5-(cyclopropylmethyl)-16-(3,3-dimethyl-2-trimethylsilyloxybutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol

C32H49NO4Si — CID 91745467

About 5-(cyclopropylmethyl)-16-(3,3-dimethyl-2-trimethylsilyloxybutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol

5-(cyclopropylmethyl)-16-(3,3-dimethyl-2-trimethylsilyloxybutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol (PubChem CID 91745467) has the molecular formula C32H49NO4Si and a molecular weight of 539.83 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-16-(3,3-dimethyl-2-trimethylsilyloxybutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol.

Molecular Properties

• Compound Name: 5-(cyclopropylmethyl)-16-(3,3-dimethyl-2-trimethylsilyloxybutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
• PubChem CID: 91745467
• Molecular Formula: C32H49NO4Si
• Molecular Weight: 539.83 g/mol
• Exact Mass: 539.34
• IUPAC Name: 5-(cyclopropylmethyl)-16-(3,3-dimethyl-2-trimethylsilyloxybutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
• SMILES: COC12CCC3(CC1C(C)(O[Si](C)(C)C)C(C)(C)C)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)C2O5
• InChI: InChI=1S/C32H49NO4Si/c1-28(2,3)29(4,37-38(6,7)8)23-18-30-13-14-32(23,35-5)27-31(30)15-16-33(19-20-9-10-20)24(30)17-21-11-12-22(34)26(36-27)25(21)31/h11-12,20,23-24,27,34H,9-10,13-19H2,1-8H3
• InChIKey: LBXMBXKWTGFREB-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 51.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.83
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
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 5-(cyclopropylmethyl)-16-(3,3-dimethyl-2-trimethylsilyloxybutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol?

The IUPAC name of 5-(cyclopropylmethyl)-16-(3,3-dimethyl-2-trimethylsilyloxybutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol (CID 91745467) is 5-(cyclopropylmethyl)-16-(3,3-dimethyl-2-trimethylsilyloxybutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol.

What is the SMILES notation for 5-(cyclopropylmethyl)-16-(3,3-dimethyl-2-trimethylsilyloxybutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol?

The canonical SMILES for 5-(cyclopropylmethyl)-16-(3,3-dimethyl-2-trimethylsilyloxybutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol is COC12CCC3(CC1C(C)(O[Si](C)(C)C)C(C)(C)C)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)C2O5.

What is the InChIKey of 5-(cyclopropylmethyl)-16-(3,3-dimethyl-2-trimethylsilyloxybutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol?

The InChIKey is LBXMBXKWTGFREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49NO4Si/c1-28(2,3)29(4,37-38(6,7)8)23-18-30-13-14-32(23,35-5)27-31(30)15-16-33(19-20-9-10-20)24(30)17-21-11-12-22(34)26(36-27)25(21)31/h11-12,20,23-24,27,34H,9-10,13-19H2,1-8H3.

What are the key properties of 5-(cyclopropylmethyl)-16-(3,3-dimethyl-2-trimethylsilyloxybutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol?

5-(cyclopropylmethyl)-16-(3,3-dimethyl-2-trimethylsilyloxybutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol has a molecular weight of 539.83 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylmethyl)-16-(3,3-dimethyl-2-trimethylsilyloxybutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol is sourced from PubChem (CID 91745467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).