4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid

C10H22O4Si — CID 22481101

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC(O)CC(=O)O
InChIInChI=1S/C10H22O4Si/c1-10(2,3)15(4,5)14-7-8(11)6-9(12)13/h8,11H,6-7H2,1-5H3,(H,12,13)
InChIKeyLIGYSOSHSKOEIL-UHFFFAOYSA-N
MW234.37 g/mol
LogP1.84
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid

4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid (PubChem CID 22481101) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid
PubChem CID22481101
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC(O)CC(=O)O
InChIInChI=1S/C10H22O4Si/c1-10(2,3)15(4,5)14-7-8(11)6-9(12)13/h8,11H,6-7H2,1-5H3,(H,12,13)
InChIKeyLIGYSOSHSKOEIL-UHFFFAOYSA-N
XLogP1.84
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 51.84
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 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid (CID 22481101) is 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid is CC(C)(C)[Si](C)(C)OCC(O)CC(=O)O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid?
The InChIKey is LIGYSOSHSKOEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-10(2,3)15(4,5)14-7-8(11)6-9(12)13/h8,11H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid?
4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid has a molecular weight of 234.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid is sourced from PubChem (CID 22481101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).