trimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate

C23H50O8Si4 — CID 612395

IUPACtrimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
SMILESCC(C)CC(=O)OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C23H50O8Si4/c1-16(2)15-17(24)26-23-21(30-34(9,10)11)19(29-33(6,7)8)18(28-32(3,4)5)20(27-23)22(25)31-35(12,13)14/h16,18-21,23H,15H2,1-14H3
InChIKeyUZPBHXXATBUUKR-UHFFFAOYSA-N
MW566.99 g/mol
LogP5.34
Rot. Bonds11

About trimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate

trimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate (PubChem CID 612395) has the molecular formula C23H50O8Si4 and a molecular weight of 566.99 g/mol. Its IUPAC name is trimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
PubChem CID612395
Molecular FormulaC23H50O8Si4
Molecular Weight566.99 g/mol
Exact Mass566.26
IUPAC Nametrimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
SMILESCC(C)CC(=O)OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C23H50O8Si4/c1-16(2)15-17(24)26-23-21(30-34(9,10)11)19(29-33(6,7)8)18(28-32(3,4)5)20(27-23)22(25)31-35(12,13)14/h16,18-21,23H,15H2,1-14H3
InChIKeyUZPBHXXATBUUKR-UHFFFAOYSA-N
XLogP5.34
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.99
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
The IUPAC name of trimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate (CID 612395) is trimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate.
What is the SMILES notation for trimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
The canonical SMILES for trimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate is CC(C)CC(=O)OC1OC(C(=O)O[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 trimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
The InChIKey is UZPBHXXATBUUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O8Si4/c1-16(2)15-17(24)26-23-21(30-34(9,10)11)19(29-33(6,7)8)18(28-32(3,4)5)20(27-23)22(25)31-35(12,13)14/h16,18-21,23H,15H2,1-14H3.
What are the key properties of trimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
trimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate has a molecular weight of 566.99 g/mol, XLogP of 5.34, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 6-(3-methylbutanoyloxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate is sourced from PubChem (CID 612395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).