[(1S,2E,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)cyclohexyl]oxy-tert-butyl-diphenylsilane

C61H83FO4Si2 — CID 10557837

About [(1S,2E,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)cyclohexyl]oxy-tert-butyl-diphenylsilane

[(1S,2E,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)cyclohexyl]oxy-tert-butyl-diphenylsilane (PubChem CID 10557837) has the molecular formula C61H83FO4Si2 and a molecular weight of 955.50 g/mol. Its IUPAC name is [(1S,2E,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)cyclohexyl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: [(1S,2E,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)cyclohexyl]oxy-tert-butyl-diphenylsilane
• PubChem CID: 10557837
• Molecular Formula: C61H83FO4Si2
• Molecular Weight: 955.50 g/mol
• Exact Mass: 954.58
• IUPAC Name: [(1S,2E,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)cyclohexyl]oxy-tert-butyl-diphenylsilane
• SMILES: COCOC(C)(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C[C@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)\C3=C\F)CCC[C@]12C
• InChI: InChI=1S/C61H83FO4Si2/c1-46(26-24-40-60(8,9)64-45-63-11)55-38-39-56-47(27-25-41-61(55,56)10)36-37-48-42-49(65-67(58(2,3)4,50-28-16-12-17-29-50)51-30-18-13-19-31-51)43-57(54(48)44-62)66-68(59(5,6)7,52-32-20-14-21-33-52)53-34-22-15-23-35-53/h12-23,28-37,44,46,49,55-57H,24-27,38-43,45H2,1-11H3/b47-36+,48-37+,54-44+/t46-,49-,55-,56+,57+,61-/m1/s1
• InChIKey: HJCCCAZITYHJPQ-MSXDHWMUSA-N
• XLogP: 13.80
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.50
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,2E,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)cyclohexyl]oxy-tert-butyl-diphenylsilane?

The IUPAC name of [(1S,2E,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)cyclohexyl]oxy-tert-butyl-diphenylsilane (CID 10557837) is [(1S,2E,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)cyclohexyl]oxy-tert-butyl-diphenylsilane.

What is the SMILES notation for [(1S,2E,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)cyclohexyl]oxy-tert-butyl-diphenylsilane?

The canonical SMILES for [(1S,2E,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)cyclohexyl]oxy-tert-butyl-diphenylsilane is COCOC(C)(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C[C@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)\C3=C\F)CCC[C@]12C.

What is the InChIKey of [(1S,2E,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)cyclohexyl]oxy-tert-butyl-diphenylsilane?

The InChIKey is HJCCCAZITYHJPQ-MSXDHWMUSA-N. The full InChI is InChI=1S/C61H83FO4Si2/c1-46(26-24-40-60(8,9)64-45-63-11)55-38-39-56-47(27-25-41-61(55,56)10)36-37-48-42-49(65-67(58(2,3)4,50-28-16-12-17-29-50)51-30-18-13-19-31-51)43-57(54(48)44-62)66-68(59(5,6)7,52-32-20-14-21-33-52)53-34-22-15-23-35-53/h12-23,28-37,44,46,49,55-57H,24-27,38-43,45H2,1-11H3/b47-36+,48-37+,54-44+/t46-,49-,55-,56+,57+,61-/m1/s1.

What are the key properties of [(1S,2E,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)cyclohexyl]oxy-tert-butyl-diphenylsilane?

[(1S,2E,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)cyclohexyl]oxy-tert-butyl-diphenylsilane has a molecular weight of 955.50 g/mol, XLogP of 13.80, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2E,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)cyclohexyl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10557837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).