2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol

C27H46O3Si2 — CID 15233711

About 2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol

2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol (PubChem CID 15233711) has the molecular formula C27H46O3Si2 and a molecular weight of 474.83 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol.

Molecular Properties

• Compound Name: 2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol
• PubChem CID: 15233711
• Molecular Formula: C27H46O3Si2
• Molecular Weight: 474.83 g/mol
• Exact Mass: 474.30
• IUPAC Name: 2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol
• SMILES: CC[Si](CC)(CC)OC1C#CCC2(O)CC(O[Si](C)(C)C(C)(C)C)C=C2C#CC(C)(C)C1
• InChI: InChI=1S/C27H46O3Si2/c1-11-32(12-2,13-3)30-23-15-14-17-27(28)21-24(29-31(9,10)25(4,5)6)19-22(27)16-18-26(7,8)20-23/h19,23-24,28H,11-13,17,20-21H2,1-10H3
• InChIKey: KOJAUDIWBXACNU-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.83
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol?

The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol (CID 15233711) is 2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol.

What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol?

The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol is CC[Si](CC)(CC)OC1C#CCC2(O)CC(O[Si](C)(C)C(C)(C)C)C=C2C#CC(C)(C)C1.

What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol?

The InChIKey is KOJAUDIWBXACNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46O3Si2/c1-11-32(12-2,13-3)30-23-15-14-17-27(28)21-24(29-31(9,10)25(4,5)6)19-22(27)16-18-26(7,8)20-23/h19,23-24,28H,11-13,17,20-21H2,1-10H3.

What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol?

2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol has a molecular weight of 474.83 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol is sourced from PubChem (CID 15233711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).