[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate

C17H38O3Si2 — CID 6430556

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

About [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate

[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate (PubChem CID 6430556) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
PubChem CID6430556
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
SMILESCC(C)(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-15(2,3)21(9,10)19-14(18)13-17(7,8)20-22(11,12)16(4,5)6/h13H2,1-12H3
InChIKeyPZSKMQJCHSQOOF-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

3-Trimethylsilyloxyisovaleric acid,trimethylsilyl ester
CID 521571
Bis[tert-butyl(dimethyl)silyl] 2-ethylmalonate
CID 553064
tert-Butyl(dimethyl)silyl 3-([tert-butyl(dimethyl)silyl]oxy)butanoate
CID 553208
2-Methyl-3-hydroxybutyric acid, diTBDMS
CID 91747827
2-Hydroxy-2-methylbutyric acid, TBDMS
CID 91752565
3-Hydroxyisovaleric acid, mono-TBDMS # 1
CID 91752589
3-(tert-Butyldimethylsilyloxy)-3-methylbutyric acid
CID 86641854
Methyl 3-methyl-3-trimethylsilyloxybutanoate
CID 139928236
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 176209010
2-Methyl-2-trimethylsilyl-3-trimethylsilyloxybutanoate
CID 22211712
2,2-Dimethyl-3-trimethylsilyl-3-trimethylsilyloxybutanoate
CID 22212037

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate (CID 6430556) is [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate is CC(C)(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
The InChIKey is PZSKMQJCHSQOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-15(2,3)21(9,10)19-14(18)13-17(7,8)20-22(11,12)16(4,5)6/h13H2,1-12H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-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] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate is sourced from PubChem (CID 6430556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).