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

C16H36O3Si2 — CID 553122

IUPAC[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-14(2,3)20(9,10)18-13(17)16(7,8)19-21(11,12)15(4,5)6/h1-12H3
InChIKeySAAYCFHJLUOGNJ-UHFFFAOYSA-N
MW332.63 g/mol
LogP5.34
Rot. Bonds4

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

[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate (PubChem CID 553122) has the molecular formula C16H36O3Si2 and a molecular weight of 332.63 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate
PubChem CID553122
Molecular FormulaC16H36O3Si2
Molecular Weight332.63 g/mol
Exact Mass332.22
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-14(2,3)20(9,10)18-13(17)16(7,8)19-21(11,12)15(4,5)6/h1-12H3
InChIKeySAAYCFHJLUOGNJ-UHFFFAOYSA-N
XLogP5.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.63
LogP ≤ 55.34
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

Propanoic acid, 2-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521575
Butanoic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester
CID 590026
2-t-Butyldimethylsilyloxy-2-trifluoromethyl-3,3,3-trifluoropropanoic acid, t-butyldimethylsilyl ester
CID 131723725
Lactic acid, diTBDMS
CID 528563
2-Ethyl-2-hydroxybutyric acid, TBDMS
CID 91752564
2-Hydroxy-2-methylbutyric acid, TBDMS
CID 91752565
(1,1-Dimethylethyl)dimethylsilyl (2S)-2-((1,1-dimethylethyl)dimethylsilyloxy)propanoate
CID 16756134
(2S)-2-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 57020188
tert-Butyl(dimethyl)silyl(2R)-2-{[tert-butyl(dimethyl)silyl]oxy}butanoate
CID 57438624
CID 155658966
CID 155658966
CID 155658975
CID 155658975
CID 155658976
CID 155658976

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate (CID 553122) is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate is CC(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-methylpropanoate?
The InChIKey is SAAYCFHJLUOGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O3Si2/c1-14(2,3)20(9,10)18-13(17)16(7,8)19-21(11,12)15(4,5)6/h1-12H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate?
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate has a molecular weight of 332.63 g/mol, XLogP of 5.34, 4 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-methylpropanoate is sourced from PubChem (CID 553122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).