(4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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

C42H76OSi — CID 140737015

About (4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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

(4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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 140737015) has the molecular formula C42H76OSi and a molecular weight of 625.16 g/mol. Its IUPAC name is (4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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: (4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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: 140737015
• Molecular Formula: C42H76OSi
• Molecular Weight: 625.16 g/mol
• Exact Mass: 624.57
• IUPAC Name: (4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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)C1CCC2C(C3CCCCC3)CCCC21
• InChI: InChI=1S/C42H76OSi/c1-31-30-39-35(33-20-12-9-13-21-33)23-17-25-38(39)41(31)44(5,29-15-7-6-14-28-43-42(2,3)4)40-27-26-36-34(22-16-24-37(36)40)32-18-10-8-11-19-32/h31-41H,6-30H2,1-5H3
• InChIKey: ORKXOZSSAAKRNS-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.16
LogP ≤ 5	13.24
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 (4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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 (4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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 140737015) is (4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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 (4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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 (4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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)C1CCC2C(C3CCCCC3)CCCC21.

What is the InChIKey of (4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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 ORKXOZSSAAKRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H76OSi/c1-31-30-39-35(33-20-12-9-13-21-33)23-17-25-38(39)41(31)44(5,29-15-7-6-14-28-43-42(2,3)4)40-27-26-36-34(22-16-24-37(36)40)32-18-10-8-11-19-32/h31-41H,6-30H2,1-5H3.

What are the key properties of (4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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?

(4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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 625.16 g/mol, XLogP of 13.24, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (4-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(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 140737015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).