bis[(4R)-6-tert-butyl-4-(3,5-dimethylcyclohexyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

C48H88O2Si — CID 153487351

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

bis[(4R)-6-tert-butyl-4-(3,5-dimethylcyclohexyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 153487351) has the molecular formula C48H88O2Si and a molecular weight of 725.32 g/mol. Its IUPAC name is bis[(4R)-6-tert-butyl-4-(3,5-dimethylcyclohexyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

• Compound Name: bis[(4R)-6-tert-butyl-4-(3,5-dimethylcyclohexyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
• PubChem CID: 153487351
• Molecular Formula: C48H88O2Si
• Molecular Weight: 725.32 g/mol
• Exact Mass: 724.66
• IUPAC Name: bis[(4R)-6-tert-butyl-4-(3,5-dimethylcyclohexyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
• SMILES: COC1C(C(C)(C)C)CC2C(CC(C)C2[Si](C)(C)C2C(C)CC3C2CC(C(C)(C)C)C(OC)[C@@H]3C2CC(C)CC(C)C2)[C@H]1C1CC(C)CC(C)C1
• InChI: InChI=1S/C48H88O2Si/c1-27-17-28(2)20-33(19-27)41-35-23-31(5)45(37(35)25-39(43(41)49-13)47(7,8)9)51(15,16)46-32(6)24-36-38(46)26-40(48(10,11)12)44(50-14)42(36)34-21-29(3)18-30(4)22-34/h27-46H,17-26H2,1-16H3/t27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41-,42-,43?,44?,45?,46?/m1/s1
• InChIKey: UXVBHEZYWSAJIU-SIKQRPPDSA-N
• XLogP: 13.52
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.32
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[(4R)-6-tert-butyl-4-(3,5-dimethylcyclohexyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?

The IUPAC name of bis[(4R)-6-tert-butyl-4-(3,5-dimethylcyclohexyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (CID 153487351) is bis[(4R)-6-tert-butyl-4-(3,5-dimethylcyclohexyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.

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

The canonical SMILES for bis[(4R)-6-tert-butyl-4-(3,5-dimethylcyclohexyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is COC1C(C(C)(C)C)CC2C(CC(C)C2[Si](C)(C)C2C(C)CC3C2CC(C(C)(C)C)C(OC)[C@@H]3C2CC(C)CC(C)C2)[C@H]1C1CC(C)CC(C)C1.

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

The InChIKey is UXVBHEZYWSAJIU-SIKQRPPDSA-N. The full InChI is InChI=1S/C48H88O2Si/c1-27-17-28(2)20-33(19-27)41-35-23-31(5)45(37(35)25-39(43(41)49-13)47(7,8)9)51(15,16)46-32(6)24-36-38(46)26-40(48(10,11)12)44(50-14)42(36)34-21-29(3)18-30(4)22-34/h27-46H,17-26H2,1-16H3/t27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41-,42-,43?,44?,45?,46?/m1/s1.

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

bis[(4R)-6-tert-butyl-4-(3,5-dimethylcyclohexyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 725.32 g/mol, XLogP of 13.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis[(4R)-6-tert-butyl-4-(3,5-dimethylcyclohexyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 153487351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).