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

C10H20O4Si — CID 87748732

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CC=O)C(=O)O
InChIInChI=1S/C10H20O4Si/c1-10(2,3)15(4,5)14-8(6-7-11)9(12)13/h7-8H,6H2,1-5H3,(H,12,13)/t8-/m0/s1
InChIKeyRCEISRFVLYTPFK-QMMMGPOBSA-N
MW232.35 g/mol
LogP2.05
Rot. Bonds5

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

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoic acid (PubChem CID 87748732) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoic acid
PubChem CID87748732
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CC=O)C(=O)O
InChIInChI=1S/C10H20O4Si/c1-10(2,3)15(4,5)14-8(6-7-11)9(12)13/h7-8H,6H2,1-5H3,(H,12,13)/t8-/m0/s1
InChIKeyRCEISRFVLYTPFK-QMMMGPOBSA-N
XLogP2.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoic acid?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoic acid (CID 87748732) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoic acid is CC(C)(C)[Si](C)(C)O[C@@H](CC=O)C(=O)O.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoic acid?
The InChIKey is RCEISRFVLYTPFK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-10(2,3)15(4,5)14-8(6-7-11)9(12)13/h7-8H,6H2,1-5H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoic acid?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoic acid has a molecular weight of 232.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoic acid is sourced from PubChem (CID 87748732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).