[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate

C21H48O4Si3 — CID 615637

IUPAC[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate
SMILESCC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H48O4Si3/c1-19(2,3)26(10,11)23-16-17(24-27(12,13)20(4,5)6)18(22)25-28(14,15)21(7,8)9/h17H,16H2,1-15H3
InChIKeySWGJEYHUUVBQIP-UHFFFAOYSA-N
MW448.87 g/mol
LogP6.95
Rot. Bonds7

About [tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate

[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate (PubChem CID 615637) has the molecular formula C21H48O4Si3 and a molecular weight of 448.87 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate
PubChem CID615637
Molecular FormulaC21H48O4Si3
Molecular Weight448.87 g/mol
Exact Mass448.29
IUPAC Name[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate
SMILESCC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H48O4Si3/c1-19(2,3)26(10,11)23-16-17(24-27(12,13)20(4,5)6)18(22)25-28(14,15)21(7,8)9/h17H,16H2,1-15H3
InChIKeySWGJEYHUUVBQIP-UHFFFAOYSA-N
XLogP6.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.87
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate (CID 615637) is [tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate is CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate?
The InChIKey is SWGJEYHUUVBQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48O4Si3/c1-19(2,3)26(10,11)23-16-17(24-27(12,13)20(4,5)6)18(22)25-28(14,15)21(7,8)9/h17H,16H2,1-15H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate?
[tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate has a molecular weight of 448.87 g/mol, XLogP of 6.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate is sourced from PubChem (CID 615637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).