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

C11H24O3Si — CID 91752589

IUPAC[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylbutanoate
SMILESCC(C)(O)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-10(2,3)15(6,7)14-9(12)8-11(4,5)13/h13H,8H2,1-7H3
InChIKeyNZOJIQQDAWCDIZ-UHFFFAOYSA-N
MW232.40 g/mol
LogP2.70
Rot. Bonds3

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

[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylbutanoate (PubChem CID 91752589) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylbutanoate
PubChem CID91752589
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylbutanoate
SMILESCC(C)(O)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-10(2,3)15(6,7)14-9(12)8-11(4,5)13/h13H,8H2,1-7H3
InChIKeyNZOJIQQDAWCDIZ-UHFFFAOYSA-N
XLogP2.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
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
(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 10911032
(R)-3-(tert-Butyldimethylsilyloxy)butanoic acid
CID 11096091
3-[Tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
CID 87444095
3-[Tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid
CID 87445048
3-[Tert-butyl(dimethyl)silyl]oxy-2-ethyl-2,3,4-trifluorobutanoic acid
CID 175557319
3-[Tert-butyl(dimethyl)silyl]oxy-2,3,4-trifluorobutanoic acid
CID 175557370
3-Hydroxyisovaleric acid, diTBDMS
CID 6430556
3-Hydroxybutyric acid, mono-TBDMS # 1
CID 91752586
2-Methylbutanoic acid, 3-(t-butyldimethylsilyloxy)-
CID 554647
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid
CID 155931801
(-)-3-t-Butyldimethylsilyloxybutyric acid
CID 13712781

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylbutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylbutanoate (CID 91752589) is [tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylbutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylbutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylbutanoate is CC(C)(O)CC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylbutanoate?
The InChIKey is NZOJIQQDAWCDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-10(2,3)15(6,7)14-9(12)8-11(4,5)13/h13H,8H2,1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylbutanoate?
[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylbutanoate has a molecular weight of 232.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylbutanoate is sourced from PubChem (CID 91752589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).