tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane

C73H116O7S2Si4 — CID 11205617

About tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane

tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane (PubChem CID 11205617) has the molecular formula C73H116O7S2Si4 and a molecular weight of 1282.20 g/mol. Its IUPAC name is tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane
• PubChem CID: 11205617
• Molecular Formula: C73H116O7S2Si4
• Molecular Weight: 1282.20 g/mol
• Exact Mass: 1280.72
• IUPAC Name: tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane
• SMILES: CC(C)[Si](OC[C@H]1C/C(=C\CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](CC2(C(C)(C)[C@H](C[C@H]3C[C@H](CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)OC(C)(C)O3)O[Si](C)(C)C(C)(C)C)SCCCS2)O1)(C(C)C)C(C)C
• InChI: InChI=1S/C73H116O7S2Si4/c1-55(2)84(56(3)4,57(5)6)76-54-62-50-58(43-45-74-85(69(10,11)12,63-35-26-22-27-36-63)64-37-28-23-29-38-64)49-61(77-62)53-73(81-47-34-48-82-73)71(16,17)67(80-83(20,21)68(7,8)9)52-60-51-59(78-72(18,19)79-60)44-46-75-86(70(13,14)15,65-39-30-24-31-40-65)66-41-32-25-33-42-66/h22-33,35-43,55-57,59-62,67H,34,44-54H2,1-21H3/b58-43-/t59-,60+,61-,62+,67-/m0/s1
• InChIKey: DKJXVTOTGFARJQ-FGEJGQKLSA-N
• XLogP: 17.87
• TPSA: 64.61 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 25
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1282.20
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane (CID 11205617) is tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane.

What is the SMILES notation for tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane?

The canonical SMILES for tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane is CC(C)[Si](OC[C@H]1C/C(=C\CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](CC2(C(C)(C)[C@H](C[C@H]3C[C@H](CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)OC(C)(C)O3)O[Si](C)(C)C(C)(C)C)SCCCS2)O1)(C(C)C)C(C)C.

What is the InChIKey of tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane?

The InChIKey is DKJXVTOTGFARJQ-FGEJGQKLSA-N. The full InChI is InChI=1S/C73H116O7S2Si4/c1-55(2)84(56(3)4,57(5)6)76-54-62-50-58(43-45-74-85(69(10,11)12,63-35-26-22-27-36-63)64-37-28-23-29-38-64)49-61(77-62)53-73(81-47-34-48-82-73)71(16,17)67(80-83(20,21)68(7,8)9)52-60-51-59(78-72(18,19)79-60)44-46-75-86(70(13,14)15,65-39-30-24-31-40-65)66-41-32-25-33-42-66/h22-33,35-43,55-57,59-62,67H,34,44-54H2,1-21H3/b58-43-/t59-,60+,61-,62+,67-/m0/s1.

What are the key properties of tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane?

tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane has a molecular weight of 1282.20 g/mol, XLogP of 17.87, 25 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane is sourced from PubChem (CID 11205617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).