6-[(7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-3-yn-2-ol

C24H44O2Si — CID 140598317

About 6-[(7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-3-yn-2-ol

6-[(7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-3-yn-2-ol (PubChem CID 140598317) has the molecular formula C24H44O2Si and a molecular weight of 392.70 g/mol. Its IUPAC name is 6-[(7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-3-yn-2-ol.

Molecular Properties

• Compound Name: 6-[(7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-3-yn-2-ol
• PubChem CID: 140598317
• Molecular Formula: C24H44O2Si
• Molecular Weight: 392.70 g/mol
• Exact Mass: 392.31
• IUPAC Name: 6-[(7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-3-yn-2-ol
• SMILES: CC[Si](CC)(CC)OC1CCC[C@]2(C)C(C(C)CC#CC(C)(C)O)CCC12
• InChI: InChI=1S/C24H44O2Si/c1-8-27(9-2,10-3)26-22-14-12-18-24(7)20(15-16-21(22)24)19(4)13-11-17-23(5,6)25/h19-22,25H,8-10,12-16,18H2,1-7H3/t19?,20?,21?,22?,24-/m1/s1
• InChIKey: SNUJTQQZXRRZKK-GGGBIRNISA-N
• XLogP: 6.39
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.70
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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 6-[(7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-3-yn-2-ol?

The IUPAC name of 6-[(7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-3-yn-2-ol (CID 140598317) is 6-[(7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-3-yn-2-ol.

What is the SMILES notation for 6-[(7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-3-yn-2-ol?

The canonical SMILES for 6-[(7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-3-yn-2-ol is CC[Si](CC)(CC)OC1CCC[C@]2(C)C(C(C)CC#CC(C)(C)O)CCC12.

What is the InChIKey of 6-[(7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-3-yn-2-ol?

The InChIKey is SNUJTQQZXRRZKK-GGGBIRNISA-N. The full InChI is InChI=1S/C24H44O2Si/c1-8-27(9-2,10-3)26-22-14-12-18-24(7)20(15-16-21(22)24)19(4)13-11-17-23(5,6)25/h19-22,25H,8-10,12-16,18H2,1-7H3/t19?,20?,21?,22?,24-/m1/s1.

What are the key properties of 6-[(7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-3-yn-2-ol?

6-[(7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-3-yn-2-ol has a molecular weight of 392.70 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(7aR)-7a-methyl-4-triethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-3-yn-2-ol is sourced from PubChem (CID 140598317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).