[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate

C17H38O3Si2 — CID 91752565

IUPAC[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
SMILESCCC(C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-13-17(8,20-22(11,12)16(5,6)7)14(18)19-21(9,10)15(2,3)4/h13H2,1-12H3
InChIKeyRYDQSIAISKWDKE-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.73
Rot. Bonds5

About [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate

[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate (PubChem CID 91752565) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
PubChem CID91752565
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
SMILESCCC(C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-13-17(8,20-22(11,12)16(5,6)7)14(18)19-21(9,10)15(2,3)4/h13H2,1-12H3
InChIKeyRYDQSIAISKWDKE-UHFFFAOYSA-N
XLogP5.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl(dimethyl)silyl 2-([tert-butyl(dimethyl)silyl]oxy)-3-methylbutanoate
CID 553040
Butanoic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester
CID 590026
Butanoic acid, 2-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 553016
alpha-Hydroxyisobutyric acid, 2TBDMS derivative
CID 553122
3-Hydroxyisovaleric acid, diTBDMS
CID 6430556
2-Ethyl-2-hydroxybutyric acid, TBDMS
CID 91752564
Trimethylsilyl 1-trimethylsilyloxycyclopropane-1-carboxylate
CID 13124370
tert-Butyl(dimethyl)silyl(2R)-2-{[tert-butyl(dimethyl)silyl]oxy}butanoate
CID 57438624
[tert-butyl(dimethyl)silyl] (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 59279545
[Butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 87301704
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-tert-butylsilyl-3-methylbutanoate
CID 173021749
2-Methyl-3-trimethylsilyl-2-trimethylsilyloxybutanoate
CID 22214250

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate (CID 91752565) is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate is CCC(C)(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-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The InChIKey is RYDQSIAISKWDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-13-17(8,20-22(11,12)16(5,6)7)14(18)19-21(9,10)15(2,3)4/h13H2,1-12H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate has a molecular weight of 346.66 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate is sourced from PubChem (CID 91752565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).