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

C40H78O4Si3 — CID 25068479

About [(1R,5R)-3-[(2E)-2-[(1S,3aR,7aS)-7a-methyl-1-[(1S)-1-(3-methyl-3-trimethylsilyloxybutoxy)ethyl]-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-[(1S,3aR,7aS)-7a-methyl-1-[(1S)-1-(3-methyl-3-trimethylsilyloxybutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 25068479) has the molecular formula C40H78O4Si3 and a molecular weight of 707.32 g/mol. Its IUPAC name is [(1R,5R)-3-[(2E)-2-[(1S,3aR,7aS)-7a-methyl-1-[(1S)-1-(3-methyl-3-trimethylsilyloxybutoxy)ethyl]-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-[(1S,3aR,7aS)-7a-methyl-1-[(1S)-1-(3-methyl-3-trimethylsilyloxybutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 25068479
• Molecular Formula: C40H78O4Si3
• Molecular Weight: 707.32 g/mol
• Exact Mass: 706.52
• IUPAC Name: [(1R,5R)-3-[(2E)-2-[(1S,3aR,7aS)-7a-methyl-1-[(1S)-1-(3-methyl-3-trimethylsilyloxybutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane
• SMILES: C[C@H](OCCC(C)(C)O[Si](C)(C)C)[C@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@@]21C
• InChI: InChI=1S/C40H78O4Si3/c1-30(41-26-25-39(8,9)44-45(11,12)13)35-22-23-36-32(19-18-24-40(35,36)10)21-20-31-27-33(42-46(14,15)37(2,3)4)29-34(28-31)43-47(16,17)38(5,6)7/h20-21,30,33-36H,18-19,22-29H2,1-17H3/b32-21+/t30-,33+,34+,35+,36+,40+/m0/s1
• InChIKey: HZHIKKAROQAOOU-ODUGSKBASA-N
• XLogP: 12.45
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.32
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[(1S,3aR,7aS)-7a-methyl-1-[(1S)-1-(3-methyl-3-trimethylsilyloxybutoxy)ethyl]-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-[(1S,3aR,7aS)-7a-methyl-1-[(1S)-1-(3-methyl-3-trimethylsilyloxybutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane (CID 25068479) is [(1R,5R)-3-[(2E)-2-[(1S,3aR,7aS)-7a-methyl-1-[(1S)-1-(3-methyl-3-trimethylsilyloxybutoxy)ethyl]-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-[(1S,3aR,7aS)-7a-methyl-1-[(1S)-1-(3-methyl-3-trimethylsilyloxybutoxy)ethyl]-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-[(1S,3aR,7aS)-7a-methyl-1-[(1S)-1-(3-methyl-3-trimethylsilyloxybutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-tert-butyl-dimethylsilane is C[C@H](OCCC(C)(C)O[Si](C)(C)C)[C@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@@]21C.

What is the InChIKey of [(1R,5R)-3-[(2E)-2-[(1S,3aR,7aS)-7a-methyl-1-[(1S)-1-(3-methyl-3-trimethylsilyloxybutoxy)ethyl]-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 HZHIKKAROQAOOU-ODUGSKBASA-N. The full InChI is InChI=1S/C40H78O4Si3/c1-30(41-26-25-39(8,9)44-45(11,12)13)35-22-23-36-32(19-18-24-40(35,36)10)21-20-31-27-33(42-46(14,15)37(2,3)4)29-34(28-31)43-47(16,17)38(5,6)7/h20-21,30,33-36H,18-19,22-29H2,1-17H3/b32-21+/t30-,33+,34+,35+,36+,40+/m0/s1.

What are the key properties of [(1R,5R)-3-[(2E)-2-[(1S,3aR,7aS)-7a-methyl-1-[(1S)-1-(3-methyl-3-trimethylsilyloxybutoxy)ethyl]-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-[(1S,3aR,7aS)-7a-methyl-1-[(1S)-1-(3-methyl-3-trimethylsilyloxybutoxy)ethyl]-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 707.32 g/mol, XLogP of 12.45, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,5R)-3-[(2E)-2-[(1S,3aR,7aS)-7a-methyl-1-[(1S)-1-(3-methyl-3-trimethylsilyloxybutoxy)ethyl]-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 25068479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).