[(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-1-(4-methylphenyl)propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane

C40H68O2Si2 — CID 176755844

About [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-1-(4-methylphenyl)propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane

[(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-1-(4-methylphenyl)propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 176755844) has the molecular formula C40H68O2Si2 and a molecular weight of 637.15 g/mol. Its IUPAC name is [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-1-(4-methylphenyl)propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-1-(4-methylphenyl)propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 176755844
• Molecular Formula: C40H68O2Si2
• Molecular Weight: 637.15 g/mol
• Exact Mass: 636.48
• IUPAC Name: [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-1-(4-methylphenyl)propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane
• SMILES: Cc1ccc(C[C@H](C)[C@H]2CC[C@H]3/C(=C/C=C4C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@]23C)cc1
• InChI: InChI=1S/C40H68O2Si2/c1-29-16-18-31(19-17-29)25-30(2)36-22-23-37-33(15-14-24-40(36,37)9)21-20-32-26-34(41-43(10,11)38(3,4)5)28-35(27-32)42-44(12,13)39(6,7)8/h16-21,30,34-37H,14-15,22-28H2,1-13H3/b33-21+/t30-,34+,35+,36+,37-,40+/m0/s1
• InChIKey: WIIDOQVJILWTEL-XOTNRGBZSA-N
• XLogP: 12.21
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.15
LogP ≤ 5	12.21
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 [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-1-(4-methylphenyl)propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-1-(4-methylphenyl)propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane (CID 176755844) is [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-1-(4-methylphenyl)propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-1-(4-methylphenyl)propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-1-(4-methylphenyl)propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane is Cc1ccc(C[C@H](C)[C@H]2CC[C@H]3/C(=C/C=C4C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@]23C)cc1.

What is the InChIKey of [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-1-(4-methylphenyl)propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane?

The InChIKey is WIIDOQVJILWTEL-XOTNRGBZSA-N. The full InChI is InChI=1S/C40H68O2Si2/c1-29-16-18-31(19-17-29)25-30(2)36-22-23-37-33(15-14-24-40(36,37)9)21-20-32-26-34(41-43(10,11)38(3,4)5)28-35(27-32)42-44(12,13)39(6,7)8/h16-21,30,34-37H,14-15,22-28H2,1-13H3/b33-21+/t30-,34+,35+,36+,37-,40+/m0/s1.

What are the key properties of [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-1-(4-methylphenyl)propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane?

[(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-1-(4-methylphenyl)propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 637.15 g/mol, XLogP of 12.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-1-(4-methylphenyl)propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 176755844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).