trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane

C23H38OSi — CID 178090504

About trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane

trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane (PubChem CID 178090504) has the molecular formula C23H38OSi and a molecular weight of 358.64 g/mol. Its IUPAC name is trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane.

Molecular Properties

• Compound Name: trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane
• PubChem CID: 178090504
• Molecular Formula: C23H38OSi
• Molecular Weight: 358.64 g/mol
• Exact Mass: 358.27
• IUPAC Name: trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane
• SMILES: CC(C)(C)OCCCCCCC1=CC(C[Si](C)(C)C)c2ccccc21
• InChI: InChI=1S/C23H38OSi/c1-23(2,3)24-16-12-8-7-9-13-19-17-20(18-25(4,5)6)22-15-11-10-14-21(19)22/h10-11,14-15,17,20H,7-9,12-13,16,18H2,1-6H3
• InChIKey: OSAZVPOZAZJLHW-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	358.64
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane?

The IUPAC name of trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane (CID 178090504) is trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane.

What is the SMILES notation for trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane?

The canonical SMILES for trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane is CC(C)(C)OCCCCCCC1=CC(C[Si](C)(C)C)c2ccccc21.

What is the InChIKey of trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane?

The InChIKey is OSAZVPOZAZJLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38OSi/c1-23(2,3)24-16-12-8-7-9-13-19-17-20(18-25(4,5)6)22-15-11-10-14-21(19)22/h10-11,14-15,17,20H,7-9,12-13,16,18H2,1-6H3.

What are the key properties of trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane?

trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane has a molecular weight of 358.64 g/mol, XLogP of 7.27, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane is sourced from PubChem (CID 178090504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).