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

C9H20O4Si — CID 18965547

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC(O)C(=O)O
InChIInChI=1S/C9H20O4Si/c1-9(2,3)14(4,5)13-6-7(10)8(11)12/h7,10H,6H2,1-5H3,(H,11,12)
InChIKeyOPDFTTKYEAPOIV-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.45
Rot. Bonds4

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

3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid (PubChem CID 18965547) has the molecular formula C9H20O4Si and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
PubChem CID18965547
Molecular FormulaC9H20O4Si
Molecular Weight220.34 g/mol
Exact Mass220.11
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC(O)C(=O)O
InChIInChI=1S/C9H20O4Si/c1-9(2,3)14(4,5)13-6-7(10)8(11)12/h7,10H,6H2,1-5H3,(H,11,12)
InChIKeyOPDFTTKYEAPOIV-UHFFFAOYSA-N
XLogP1.45
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.45
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 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid (CID 18965547) is 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid is CC(C)(C)[Si](C)(C)OCC(O)C(=O)O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid?
The InChIKey is OPDFTTKYEAPOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si/c1-9(2,3)14(4,5)13-6-7(10)8(11)12/h7,10H,6H2,1-5H3,(H,11,12).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid has a molecular weight of 220.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid is sourced from PubChem (CID 18965547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).