1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one

C36H86O11Si8 — CID 612384

About 1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one

1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one (PubChem CID 612384) has the molecular formula C36H86O11Si8 and a molecular weight of 919.76 g/mol. Its IUPAC name is 1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one.

Molecular Properties

• Compound Name: 1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one
• PubChem CID: 612384
• Molecular Formula: C36H86O11Si8
• Molecular Weight: 919.76 g/mol
• Exact Mass: 918.43
• IUPAC Name: 1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one
• SMILES: C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C36H86O11Si8/c1-48(2,3)39-25-28(37)31(43-51(10,11)12)33(45-53(16,17)18)30(42-50(7,8)9)26-38-36-35(47-55(22,23)24)34(46-54(19,20)21)32(44-52(13,14)15)29(41-36)27-40-49(4,5)6/h29-36H,25-27H2,1-24H3
• InChIKey: KIICKJRSWOMAAE-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 109.37 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 24
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	919.76
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one?

The IUPAC name of 1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one (CID 612384) is 1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one.

What is the SMILES notation for 1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one?

The canonical SMILES for 1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one is C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of 1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one?

The InChIKey is KIICKJRSWOMAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H86O11Si8/c1-48(2,3)39-25-28(37)31(43-51(10,11)12)33(45-53(16,17)18)30(42-50(7,8)9)26-38-36-35(47-55(22,23)24)34(46-54(19,20)21)32(44-52(13,14)15)29(41-36)27-40-49(4,5)6/h29-36H,25-27H2,1-24H3.

What are the key properties of 1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one?

1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one has a molecular weight of 919.76 g/mol, XLogP of 9.32, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one is sourced from PubChem (CID 612384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).