tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane

C16H32OSi — CID 59879661

About tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane

tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane (PubChem CID 59879661) has the molecular formula C16H32OSi and a molecular weight of 268.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane
• PubChem CID: 59879661
• Molecular Formula: C16H32OSi
• Molecular Weight: 268.52 g/mol
• Exact Mass: 268.22
• IUPAC Name: tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane
• SMILES: CC1CC(O[Si](C)(C)C(C)(C)C)C2CCCCC12
• InChI: InChI=1S/C16H32OSi/c1-12-11-15(14-10-8-7-9-13(12)14)17-18(5,6)16(2,3)4/h12-15H,7-11H2,1-6H3
• InChIKey: OXWSQYUWFXRNLB-UHFFFAOYSA-N
• XLogP: 5.22
• 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	268.52
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane?

The IUPAC name of tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane (CID 59879661) is tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane is CC1CC(O[Si](C)(C)C(C)(C)C)C2CCCCC12.

What is the InChIKey of tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane?

The InChIKey is OXWSQYUWFXRNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OSi/c1-12-11-15(14-10-8-7-9-13(12)14)17-18(5,6)16(2,3)4/h12-15H,7-11H2,1-6H3.

What are the key properties of tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane?

tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane has a molecular weight of 268.52 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane is sourced from PubChem (CID 59879661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).