3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid

C10H20O4Si — CID 85312510

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC1OC1C(=O)O
InChIInChI=1S/C10H20O4Si/c1-10(2,3)15(4,5)13-6-7-8(14-7)9(11)12/h7-8H,6H2,1-5H3,(H,11,12)
InChIKeyZGTIATOEOZHNLL-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.86
Rot. Bonds4

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid

3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid (PubChem CID 85312510) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid
PubChem CID85312510
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC1OC1C(=O)O
InChIInChI=1S/C10H20O4Si/c1-10(2,3)15(4,5)13-6-7-8(14-7)9(11)12/h7-8H,6H2,1-5H3,(H,11,12)
InChIKeyZGTIATOEOZHNLL-UHFFFAOYSA-N
XLogP1.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid (CID 85312510) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid is CC(C)(C)[Si](C)(C)OCC1OC1C(=O)O.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid?
The InChIKey is ZGTIATOEOZHNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-10(2,3)15(4,5)13-6-7-8(14-7)9(11)12/h7-8H,6H2,1-5H3,(H,11,12).
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylic acid has a molecular weight of 232.35 g/mol, XLogP of 1.86, 4 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]oxymethyl]oxirane-2-carboxylic acid is sourced from PubChem (CID 85312510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).