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

C11H24O3Si — CID 91752566

IUPAC[tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylbutanoate
SMILESCC(C)C(O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-8(2)9(12)10(13)14-15(6,7)11(3,4)5/h8-9,12H,1-7H3
InChIKeyYZCKYPBFUKFDFN-UHFFFAOYSA-N
MW232.40 g/mol
LogP2.55
Rot. Bonds3

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

[tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylbutanoate (PubChem CID 91752566) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylbutanoate
PubChem CID91752566
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name[tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylbutanoate
SMILESCC(C)C(O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-8(2)9(12)10(13)14-15(6,7)11(3,4)5/h8-9,12H,1-7H3
InChIKeyYZCKYPBFUKFDFN-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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

2-O-tbdms-lactic acid
CID 14358756
l-(+)-Lactic acid, tert-butyldimethylsilyl ester
CID 14325765
(S)-2-(t-Butyl-dimethyl-silanyloxy)-propionic acid
CID 10035833
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid
CID 11064310
2-[Tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid
CID 150285014
2-[Tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
2-[Tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 21665053
methyl (2R,3S)-2-hydroxy-3-methyl-5-trimethylsilylpent-4-ynoate
CID 16115183
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
CID 15724589
2-Hydroxy-3-methylvaleric acid, TBDMS
CID 91752567
2-Hydroxybutyric acid, TBDMS
CID 91752568
Butanoic acid, 2-hydroxy-3-methyl-, 2-(trimethylsilyl)ethyl ester, (S)-
CID 10680365

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylbutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylbutanoate (CID 91752566) is [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylbutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylbutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylbutanoate is CC(C)C(O)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylbutanoate?
The InChIKey is YZCKYPBFUKFDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-8(2)9(12)10(13)14-15(6,7)11(3,4)5/h8-9,12H,1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylbutanoate?
[tert-butyl(dimethyl)silyl] 2-hydroxy-3-methylbutanoate has a molecular weight of 232.40 g/mol, XLogP of 2.55, 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] 2-hydroxy-3-methylbutanoate is sourced from PubChem (CID 91752566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).