[4-(3,5-ditert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dihexyl-(2,3,4,5-tetramethylcyclopentyl)silane

C47H90Si — CID 164715478

About [4-(3,5-ditert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dihexyl-(2,3,4,5-tetramethylcyclopentyl)silane

[4-(3,5-ditert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dihexyl-(2,3,4,5-tetramethylcyclopentyl)silane (PubChem CID 164715478) has the molecular formula C47H90Si and a molecular weight of 683.32 g/mol. Its IUPAC name is [4-(3,5-ditert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dihexyl-(2,3,4,5-tetramethylcyclopentyl)silane.

Molecular Properties

• Compound Name: [4-(3,5-ditert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dihexyl-(2,3,4,5-tetramethylcyclopentyl)silane
• PubChem CID: 164715478
• Molecular Formula: C47H90Si
• Molecular Weight: 683.32 g/mol
• Exact Mass: 682.68
• IUPAC Name: [4-(3,5-ditert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dihexyl-(2,3,4,5-tetramethylcyclopentyl)silane
• SMILES: CCCCCC[Si](CCCCCC)(C1C(C)C(C)C(C)C1C)C1C(C(C)C)CC2C(C3CC(C(C)(C)C)CC(C(C)(C)C)C3)CCCC21
• InChI: InChI=1S/C47H90Si/c1-15-17-19-21-26-48(27-22-20-18-16-2,44-35(7)33(5)34(6)36(44)8)45-41-25-23-24-40(43(41)31-42(45)32(3)4)37-28-38(46(9,10)11)30-39(29-37)47(12,13)14/h32-45H,15-31H2,1-14H3
• InChIKey: FFFVUBRJGFKYPU-UHFFFAOYSA-N
• XLogP: 15.73
• TPSA: 0.00 Ų
• Rotatable Bonds: 14
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.32
LogP ≤ 5	15.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 [4-(3,5-ditert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dihexyl-(2,3,4,5-tetramethylcyclopentyl)silane?

The IUPAC name of [4-(3,5-ditert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dihexyl-(2,3,4,5-tetramethylcyclopentyl)silane (CID 164715478) is [4-(3,5-ditert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dihexyl-(2,3,4,5-tetramethylcyclopentyl)silane.

What is the SMILES notation for [4-(3,5-ditert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dihexyl-(2,3,4,5-tetramethylcyclopentyl)silane?

The canonical SMILES for [4-(3,5-ditert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dihexyl-(2,3,4,5-tetramethylcyclopentyl)silane is CCCCCC[Si](CCCCCC)(C1C(C)C(C)C(C)C1C)C1C(C(C)C)CC2C(C3CC(C(C)(C)C)CC(C(C)(C)C)C3)CCCC21.

What is the InChIKey of [4-(3,5-ditert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dihexyl-(2,3,4,5-tetramethylcyclopentyl)silane?

The InChIKey is FFFVUBRJGFKYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H90Si/c1-15-17-19-21-26-48(27-22-20-18-16-2,44-35(7)33(5)34(6)36(44)8)45-41-25-23-24-40(43(41)31-42(45)32(3)4)37-28-38(46(9,10)11)30-39(29-37)47(12,13)14/h32-45H,15-31H2,1-14H3.

What are the key properties of [4-(3,5-ditert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dihexyl-(2,3,4,5-tetramethylcyclopentyl)silane?

[4-(3,5-ditert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dihexyl-(2,3,4,5-tetramethylcyclopentyl)silane has a molecular weight of 683.32 g/mol, XLogP of 15.73, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(3,5-ditert-butylcyclohexyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dihexyl-(2,3,4,5-tetramethylcyclopentyl)silane is sourced from PubChem (CID 164715478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).