[3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol

C33H78O11Si7 — CID 553904

IUPAC[3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol
SMILESC[Si](C)(C)OCC1OC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C33H78O11Si7/c1-45(2,3)35-23-25-27(40-47(7,8)9)29(42-49(13,14)15)31(44-51(19,20)21)33(37-25)38-32-30(43-50(16,17)18)28(41-48(10,11)12)26(24(22-34)36-32)39-46(4,5)6/h24-34H,22-23H2,1-21H3
InChIKeyUKHUTQREQAFREY-UHFFFAOYSA-N
MW847.58 g/mol
LogP7.62
Rot. Bonds18

About [3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol

[3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol (PubChem CID 553904) has the molecular formula C33H78O11Si7 and a molecular weight of 847.58 g/mol. Its IUPAC name is [3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol
PubChem CID553904
Molecular FormulaC33H78O11Si7
Molecular Weight847.58 g/mol
Exact Mass846.39
IUPAC Name[3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol
SMILESC[Si](C)(C)OCC1OC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C33H78O11Si7/c1-45(2,3)35-23-25-27(40-47(7,8)9)29(42-49(13,14)15)31(44-51(19,20)21)33(37-25)38-32-30(43-50(16,17)18)28(41-48(10,11)12)26(24(22-34)36-32)39-46(4,5)6/h24-34H,22-23H2,1-21H3
InChIKeyUKHUTQREQAFREY-UHFFFAOYSA-N
XLogP7.62
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500847.58
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze [3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol?
The IUPAC name of [3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol (CID 553904) is [3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol.
What is the SMILES notation for [3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol?
The canonical SMILES for [3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol is C[Si](C)(C)OCC1OC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of [3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol?
The InChIKey is UKHUTQREQAFREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H78O11Si7/c1-45(2,3)35-23-25-27(40-47(7,8)9)29(42-49(13,14)15)31(44-51(19,20)21)33(37-25)38-32-30(43-50(16,17)18)28(41-48(10,11)12)26(24(22-34)36-32)39-46(4,5)6/h24-34H,22-23H2,1-21H3.
What are the key properties of [3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol?
[3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol has a molecular weight of 847.58 g/mol, XLogP of 7.62, 18 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4,5-tris(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol is sourced from PubChem (CID 553904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).