bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

C43H78OSi — CID 140664993

About bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 140664993) has the molecular formula C43H78OSi and a molecular weight of 639.18 g/mol. Its IUPAC name is bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

• Compound Name: bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
• PubChem CID: 140664993
• Molecular Formula: C43H78OSi
• Molecular Weight: 639.18 g/mol
• Exact Mass: 638.58
• IUPAC Name: bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
• SMILES: CC1CC2C(C3CCCCC3)CCCC2C1[Si](C)(CCCCCCOC(C)(C)C)C1C(C)CC2C(C3CCCCC3)CCCC21
• InChI: InChI=1S/C43H78OSi/c1-31-29-39-35(33-19-11-9-12-20-33)23-17-25-37(39)41(31)45(6,28-16-8-7-15-27-44-43(3,4)5)42-32(2)30-40-36(24-18-26-38(40)42)34-21-13-10-14-22-34/h31-42H,7-30H2,1-6H3
• InChIKey: BEYPSHOUCNSWPP-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.18
LogP ≤ 5	13.49
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 bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

The IUPAC name of bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 140664993) is bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

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

The canonical SMILES for bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is CC1CC2C(C3CCCCC3)CCCC2C1[Si](C)(CCCCCCOC(C)(C)C)C1C(C)CC2C(C3CCCCC3)CCCC21.

What is the InChIKey of bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?

The InChIKey is BEYPSHOUCNSWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H78OSi/c1-31-29-39-35(33-19-11-9-12-20-33)23-17-25-37(39)41(31)45(6,28-16-8-7-15-27-44-43(3,4)5)42-32(2)30-40-36(24-18-26-38(40)42)34-21-13-10-14-22-34/h31-42H,7-30H2,1-6H3.

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

bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 639.18 g/mol, XLogP of 13.49, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-cyclohexyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 140664993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).