(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid

C11H24O3Si — CID 155931801

IUPAC(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O
InChIInChI=1S/C11H24O3Si/c1-8(10(12)13)9(2)14-15(6,7)11(3,4)5/h8-9H,1-7H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyWGOGVVAQGYTWHU-BDAKNGLRSA-N
MW232.40 g/mol
LogP3.12
Rot. Bonds4

About (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid (PubChem CID 155931801) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid
PubChem CID155931801
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O
InChIInChI=1S/C11H24O3Si/c1-8(10(12)13)9(2)14-15(6,7)11(3,4)5/h8-9H,1-7H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyWGOGVVAQGYTWHU-BDAKNGLRSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-((Tert-butyldimethylsilyl)oxy)propanoic acid
CID 17805175
Methyl (R)-3-[(tert-Butyldimethylsilyl)oxy]butanoate
CID 11009839
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 10868598
(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-trifluorobutanoic acid
CID 21838741
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobutanoic acid
CID 88155890
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
CID 88298854
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
CID 163274361
Butanoic acid, 2-methyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521655
3-Hydroxybutyric acid, mono-TBDMS # 1
CID 91752586
2-Methylbutanoic acid, 3-(t-butyldimethylsilyloxy)-
CID 554647

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid?
The IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid (CID 155931801) is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid?
The canonical SMILES for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O.
What is the InChIKey of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid?
The InChIKey is WGOGVVAQGYTWHU-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-8(10(12)13)9(2)14-15(6,7)11(3,4)5/h8-9H,1-7H3,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid?
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid has a molecular weight of 232.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid is sourced from PubChem (CID 155931801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).