[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate

C17H38O3Si2 — CID 91747827

IUPAC[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
SMILESCC(O[Si](C)(C)C(C)(C)C)C(C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-13(14(2)19-21(9,10)16(3,4)5)15(18)20-22(11,12)17(6,7)8/h13-14H,1-12H3
InChIKeyWRYYXJJXANUFSZ-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.58
Rot. Bonds5

About [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate

[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate (PubChem CID 91747827) 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-2-methylbutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
PubChem CID91747827
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
SMILESCC(O[Si](C)(C)C(C)(C)C)C(C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-13(14(2)19-21(9,10)16(3,4)5)15(18)20-22(11,12)17(6,7)8/h13-14H,1-12H3
InChIKeyWRYYXJJXANUFSZ-UHFFFAOYSA-N
XLogP5.58
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 ≤ 55.58
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

beta-Hydroxybutyric acid (tms)
CID 521577
Methyl (R)-3-[(tert-Butyldimethylsilyl)oxy]butanoate
CID 11009839
tert-Butyl(dimethyl)silyl 2-([tert-butyl(dimethyl)silyl]oxy)-3-methylbutanoate
CID 553040
Butanoic acid, 2-methyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521655
Butanoic acid, 2,2-dimethyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 528636
Trimethylsilyl 2-([(trimethylsilyl)oxy]methyl)butanoate
CID 528640
Bis[tert-butyl(dimethyl)silyl] 2-ethylmalonate
CID 553064
tert-Butyl(dimethyl)silyl 3-([tert-butyl(dimethyl)silyl]oxy)butanoate
CID 553208
3-Hydroxyisovaleric acid, diTBDMS
CID 6430556
2-Methylbutanoic acid, 3-(t-butyldimethylsilyloxy)-
CID 554647
2-Methylbutanoic acid, 3-(t-butyldimethylsilyloxy)-, methyl ester
CID 560751
trimethylsilyl (3R)-3-trimethylsilyloxybutanoate
CID 13724699

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate (CID 91747827) is [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate is CC(O[Si](C)(C)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] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The InChIKey is WRYYXJJXANUFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-13(14(2)19-21(9,10)16(3,4)5)15(18)20-22(11,12)17(6,7)8/h13-14H,1-12H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate has a molecular weight of 346.66 g/mol, XLogP of 5.58, 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-2-methylbutanoate is sourced from PubChem (CID 91747827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).