[(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

C46H84OSi — CID 140785668

About [(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

[(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 140785668) has the molecular formula C46H84OSi and a molecular weight of 681.26 g/mol. Its IUPAC name is [(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

• Compound Name: [(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
• PubChem CID: 140785668
• Molecular Formula: C46H84OSi
• Molecular Weight: 681.26 g/mol
• Exact Mass: 680.63
• IUPAC Name: [(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
• SMILES: CC(C)COC1C(C(C)(C)C)CC2C(CC(C)C2[Si](C)(C)C2C(C)CC3C2CCC[C@@H]3C2CCC(C(C)(C)C)CC2)[C@H]1C1CCCCC1
• InChI: InChI=1S/C46H84OSi/c1-29(2)28-47-42-40(46(8,9)10)27-39-38(41(42)33-17-14-13-15-18-33)26-31(4)44(39)48(11,12)43-30(3)25-37-35(19-16-20-36(37)43)32-21-23-34(24-22-32)45(5,6)7/h29-44H,13-28H2,1-12H3/t30?,31?,32?,34?,35-,36?,37?,38?,39?,40?,41-,42?,43?,44?/m1/s1
• InChIKey: SZPMAWWOYHCFPY-KBRDJHFHSA-N
• XLogP: 13.94
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	681.26
LogP ≤ 5	13.94
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 [(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?

The IUPAC name of [(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (CID 140785668) is [(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.

What is the SMILES notation for [(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?

The canonical SMILES for [(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is CC(C)COC1C(C(C)(C)C)CC2C(CC(C)C2[Si](C)(C)C2C(C)CC3C2CCC[C@@H]3C2CCC(C(C)(C)C)CC2)[C@H]1C1CCCCC1.

What is the InChIKey of [(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?

The InChIKey is SZPMAWWOYHCFPY-KBRDJHFHSA-N. The full InChI is InChI=1S/C46H84OSi/c1-29(2)28-47-42-40(46(8,9)10)27-39-38(41(42)33-17-14-13-15-18-33)26-31(4)44(39)48(11,12)43-30(3)25-37-35(19-16-20-36(37)43)32-21-23-34(24-22-32)45(5,6)7/h29-44H,13-28H2,1-12H3/t30?,31?,32?,34?,35-,36?,37?,38?,39?,40?,41-,42?,43?,44?/m1/s1.

What are the key properties of [(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?

[(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 681.26 g/mol, XLogP of 13.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R)-4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(4R)-6-tert-butyl-4-cyclohexyl-2-methyl-5-(2-methylpropoxy)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 140785668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).