3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid

C10H22O4Si — CID 57296730

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid
SMILESCOC(CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H22O4Si/c1-10(2,3)15(5,6)14-7-8(13-4)9(11)12/h8H,7H2,1-6H3,(H,11,12)
InChIKeyAHMLSWAEHPOHMS-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.11
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid

3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid (PubChem CID 57296730) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid
PubChem CID57296730
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid
SMILESCOC(CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H22O4Si/c1-10(2,3)15(5,6)14-7-8(13-4)9(11)12/h8H,7H2,1-6H3,(H,11,12)
InChIKeyAHMLSWAEHPOHMS-UHFFFAOYSA-N
XLogP2.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid (CID 57296730) is 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid is COC(CO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid?
The InChIKey is AHMLSWAEHPOHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-10(2,3)15(5,6)14-7-8(13-4)9(11)12/h8H,7H2,1-6H3,(H,11,12).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid has a molecular weight of 234.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropanoic acid is sourced from PubChem (CID 57296730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).