[(1S,3aS,7aS)-3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane

C17H32OSi — CID 46844193

About [(1S,3aS,7aS)-3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane

[(1S,3aS,7aS)-3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 46844193) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is [(1S,3aS,7aS)-3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1S,3aS,7aS)-3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 46844193
• Molecular Formula: C17H32OSi
• Molecular Weight: 280.53 g/mol
• Exact Mass: 280.22
• IUPAC Name: [(1S,3aS,7aS)-3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
• SMILES: CC1=CCC[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]12C
• InChI: InChI=1S/C17H32OSi/c1-13-9-8-10-14-15(11-12-17(13,14)5)18-19(6,7)16(2,3)4/h9,14-15H,8,10-12H2,1-7H3/t14-,15+,17-/m1/s1
• InChIKey: CPMVULPUOPUQRG-HLLBOEOZSA-N
• XLogP: 5.53
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	280.53
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 [(1S,3aS,7aS)-3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(1S,3aS,7aS)-3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane (CID 46844193) is [(1S,3aS,7aS)-3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(1S,3aS,7aS)-3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(1S,3aS,7aS)-3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane is CC1=CCC[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]12C.

What is the InChIKey of [(1S,3aS,7aS)-3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is CPMVULPUOPUQRG-HLLBOEOZSA-N. The full InChI is InChI=1S/C17H32OSi/c1-13-9-8-10-14-15(11-12-17(13,14)5)18-19(6,7)16(2,3)4/h9,14-15H,8,10-12H2,1-7H3/t14-,15+,17-/m1/s1.

What are the key properties of [(1S,3aS,7aS)-3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane?

[(1S,3aS,7aS)-3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 280.53 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3aS,7aS)-3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 46844193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).