[(4aS,8R,8aR)-4-[(4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methoxy-tert-butyl-diphenylsilane

C54H74O10Si2 — CID 134956757

About [(4aS,8R,8aR)-4-[(4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methoxy-tert-butyl-diphenylsilane

[(4aS,8R,8aR)-4-[(4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 134956757) has the molecular formula C54H74O10Si2 and a molecular weight of 939.35 g/mol. Its IUPAC name is [(4aS,8R,8aR)-4-[(4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: [(4aS,8R,8aR)-4-[(4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methoxy-tert-butyl-diphenylsilane
• PubChem CID: 134956757
• Molecular Formula: C54H74O10Si2
• Molecular Weight: 939.35 g/mol
• Exact Mass: 938.48
• IUPAC Name: [(4aS,8R,8aR)-4-[(4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methoxy-tert-butyl-diphenylsilane
• SMILES: CC1(C)OC(C2OC(C)(C)O[C@H]3[C@@H]2OC(C)(C)O[C@@H]3CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1
• InChI: InChI=1S/C54H74O10Si2/c1-49(2,3)65(37-27-19-15-20-28-37,38-29-21-16-22-30-38)55-35-41-43-45(61-51(7,8)57-41)47(63-53(11,12)59-43)48-46-44(60-54(13,14)64-48)42(58-52(9,10)62-46)36-56-66(50(4,5)6,39-31-23-17-24-32-39)40-33-25-18-26-34-40/h15-34,41-48H,35-36H2,1-14H3/t41-,42-,43-,44-,45+,46+,47?,48?/m1/s1
• InChIKey: DBVASHUIIXAYQA-YTNKBWBNSA-N
• XLogP: 8.22
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.35
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4aS,8R,8aR)-4-[(4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methoxy-tert-butyl-diphenylsilane?

The IUPAC name of [(4aS,8R,8aR)-4-[(4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methoxy-tert-butyl-diphenylsilane (CID 134956757) is [(4aS,8R,8aR)-4-[(4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methoxy-tert-butyl-diphenylsilane.

What is the SMILES notation for [(4aS,8R,8aR)-4-[(4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methoxy-tert-butyl-diphenylsilane?

The canonical SMILES for [(4aS,8R,8aR)-4-[(4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methoxy-tert-butyl-diphenylsilane is CC1(C)OC(C2OC(C)(C)O[C@H]3[C@@H]2OC(C)(C)O[C@@H]3CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1.

What is the InChIKey of [(4aS,8R,8aR)-4-[(4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methoxy-tert-butyl-diphenylsilane?

The InChIKey is DBVASHUIIXAYQA-YTNKBWBNSA-N. The full InChI is InChI=1S/C54H74O10Si2/c1-49(2,3)65(37-27-19-15-20-28-37,38-29-21-16-22-30-38)55-35-41-43-45(61-51(7,8)57-41)47(63-53(11,12)59-43)48-46-44(60-54(13,14)64-48)42(58-52(9,10)62-46)36-56-66(50(4,5)6,39-31-23-17-24-32-39)40-33-25-18-26-34-40/h15-34,41-48H,35-36H2,1-14H3/t41-,42-,43-,44-,45+,46+,47?,48?/m1/s1.

What are the key properties of [(4aS,8R,8aR)-4-[(4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methoxy-tert-butyl-diphenylsilane?

[(4aS,8R,8aR)-4-[(4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 939.35 g/mol, XLogP of 8.22, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(4aS,8R,8aR)-4-[(4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 134956757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).