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

C16H30OSi — CID 15129242

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

[(1S,3aS,7aS)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 15129242) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is [(1S,3aS,7aS)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1S,3aS,7aS)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 15129242
• Molecular Formula: C16H30OSi
• Molecular Weight: 266.50 g/mol
• Exact Mass: 266.21
• IUPAC Name: [(1S,3aS,7aS)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2C=CCC[C@@]21C
• InChI: InChI=1S/C16H30OSi/c1-15(2,3)18(5,6)17-14-11-10-13-9-7-8-12-16(13,14)4/h7,9,13-14H,8,10-12H2,1-6H3/t13-,14+,16+/m1/s1
• InChIKey: UQFVGAPLWJDCRA-YCPHGPKFSA-N
• XLogP: 5.14
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	266.50
LogP ≤ 5	5.14
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)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(1S,3aS,7aS)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane (CID 15129242) is [(1S,3aS,7aS)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane.

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

The canonical SMILES for [(1S,3aS,7aS)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2C=CCC[C@@]21C.

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

The InChIKey is UQFVGAPLWJDCRA-YCPHGPKFSA-N. The full InChI is InChI=1S/C16H30OSi/c1-15(2,3)18(5,6)17-14-11-10-13-9-7-8-12-16(13,14)4/h7,9,13-14H,8,10-12H2,1-6H3/t13-,14+,16+/m1/s1.

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

[(1S,3aS,7aS)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3aS,7aS)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 15129242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).