diethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate

C22H46O8Si3 — CID 174034280

IUPACdiethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate
SMILESCCOC(=O)C(C[C@H]1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C22H46O8Si3/c1-12-25-21(23)16(22(24)26-13-2)14-17-19(29-32(6,7)8)20(30-33(9,10)11)18(15-27-17)28-31(3,4)5/h16-20H,12-15H2,1-11H3/t17-,18?,19?,20?/m1/s1
InChIKeyFOBMAIOLFHQMKI-NEYBNPPJSA-N
MW522.86 g/mol
LogP4.18
Rot. Bonds12

About diethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate

diethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate (PubChem CID 174034280) has the molecular formula C22H46O8Si3 and a molecular weight of 522.86 g/mol. Its IUPAC name is diethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate
PubChem CID174034280
Molecular FormulaC22H46O8Si3
Molecular Weight522.86 g/mol
Exact Mass522.25
IUPAC Namediethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate
SMILESCCOC(=O)C(C[C@H]1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C22H46O8Si3/c1-12-25-21(23)16(22(24)26-13-2)14-17-19(29-32(6,7)8)20(30-33(9,10)11)18(15-27-17)28-31(3,4)5/h16-20H,12-15H2,1-11H3/t17-,18?,19?,20?/m1/s1
InChIKeyFOBMAIOLFHQMKI-NEYBNPPJSA-N
XLogP4.18
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.86
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate?
The IUPAC name of diethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate (CID 174034280) is diethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate.
What is the SMILES notation for diethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate?
The canonical SMILES for diethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate is CCOC(=O)C(C[C@H]1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate?
The InChIKey is FOBMAIOLFHQMKI-NEYBNPPJSA-N. The full InChI is InChI=1S/C22H46O8Si3/c1-12-25-21(23)16(22(24)26-13-2)14-17-19(29-32(6,7)8)20(30-33(9,10)11)18(15-27-17)28-31(3,4)5/h16-20H,12-15H2,1-11H3/t17-,18?,19?,20?/m1/s1.
What are the key properties of diethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate?
diethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate has a molecular weight of 522.86 g/mol, XLogP of 4.18, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[[(2R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl]propanedioate is sourced from PubChem (CID 174034280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).