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

C22H50O7Si4 — CID 91752372

IUPACtrimethylsilyl 6-(2-methylpropoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
SMILESCC(C)COC1OC(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/C22H50O7Si4/c1-16(2)15-24-22-20(28-32(9,10)11)18(27-31(6,7)8)17(26-30(3,4)5)19(25-22)21(23)29-33(12,13)14/h16-20,22H,15H2,1-14H3
InChIKeyVSRFFEPYOAEWEU-UHFFFAOYSA-N
MW538.98 g/mol
LogP5.42
Rot. Bonds11

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

trimethylsilyl 6-(2-methylpropoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate (PubChem CID 91752372) has the molecular formula C22H50O7Si4 and a molecular weight of 538.98 g/mol. Its IUPAC name is trimethylsilyl 6-(2-methylpropoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 6-(2-methylpropoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
PubChem CID91752372
Molecular FormulaC22H50O7Si4
Molecular Weight538.98 g/mol
Exact Mass538.26
IUPAC Nametrimethylsilyl 6-(2-methylpropoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate
SMILESCC(C)COC1OC(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/C22H50O7Si4/c1-16(2)15-24-22-20(28-32(9,10)11)18(27-31(6,7)8)17(26-30(3,4)5)19(25-22)21(23)29-33(12,13)14/h16-20,22H,15H2,1-14H3
InChIKeyVSRFFEPYOAEWEU-UHFFFAOYSA-N
XLogP5.42
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.98
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(2-methylpropoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
The IUPAC name of trimethylsilyl 6-(2-methylpropoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate (CID 91752372) is trimethylsilyl 6-(2-methylpropoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate.
What is the SMILES notation for trimethylsilyl 6-(2-methylpropoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
The canonical SMILES for trimethylsilyl 6-(2-methylpropoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate is CC(C)COC1OC(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-(2-methylpropoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
The InChIKey is VSRFFEPYOAEWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50O7Si4/c1-16(2)15-24-22-20(28-32(9,10)11)18(27-31(6,7)8)17(26-30(3,4)5)19(25-22)21(23)29-33(12,13)14/h16-20,22H,15H2,1-14H3.
What are the key properties of trimethylsilyl 6-(2-methylpropoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate?
trimethylsilyl 6-(2-methylpropoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate has a molecular weight of 538.98 g/mol, XLogP of 5.42, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 6-(2-methylpropoxy)-3,4,5-tris(trimethylsilyloxy)oxane-2-carboxylate is sourced from PubChem (CID 91752372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).