(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid

C11H24O4Si — CID 87149711

IUPAC(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC[C@](C)(O)C(=O)O
InChIInChI=1S/C11H24O4Si/c1-10(2,3)16(5,6)15-8-7-11(4,14)9(12)13/h14H,7-8H2,1-6H3,(H,12,13)/t11-/m0/s1
InChIKeyICCLLDYFJZSUSG-NSHDSACASA-N
MW248.39 g/mol
LogP2.23
Rot. Bonds5

About (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid

(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid (PubChem CID 87149711) has the molecular formula C11H24O4Si and a molecular weight of 248.39 g/mol. Its IUPAC name is (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid
PubChem CID87149711
Molecular FormulaC11H24O4Si
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC[C@](C)(O)C(=O)O
InChIInChI=1S/C11H24O4Si/c1-10(2,3)16(5,6)15-8-7-11(4,14)9(12)13/h14H,7-8H2,1-6H3,(H,12,13)/t11-/m0/s1
InChIKeyICCLLDYFJZSUSG-NSHDSACASA-N
XLogP2.23
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid?
The IUPAC name of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid (CID 87149711) is (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid.
What is the SMILES notation for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid?
The canonical SMILES for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid is CC(C)(C)[Si](C)(C)OCC[C@](C)(O)C(=O)O.
What is the InChIKey of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid?
The InChIKey is ICCLLDYFJZSUSG-NSHDSACASA-N. The full InChI is InChI=1S/C11H24O4Si/c1-10(2,3)16(5,6)15-8-7-11(4,14)9(12)13/h14H,7-8H2,1-6H3,(H,12,13)/t11-/m0/s1.
What are the key properties of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid?
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid has a molecular weight of 248.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylbutanoic acid is sourced from PubChem (CID 87149711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).