2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde

C11H19NO3Si — CID 11241955

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1nc(C=O)co1
InChIInChI=1S/C11H19NO3Si/c1-11(2,3)16(4,5)15-8-10-12-9(6-13)7-14-10/h6-7H,8H2,1-5H3
InChIKeyIFJMZRCIPYRAAN-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.01
Rot. Bonds4

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde (PubChem CID 11241955) has the molecular formula C11H19NO3Si and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde
PubChem CID11241955
Molecular FormulaC11H19NO3Si
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1nc(C=O)co1
InChIInChI=1S/C11H19NO3Si/c1-11(2,3)16(4,5)15-8-10-12-9(6-13)7-14-10/h6-7H,8H2,1-5H3
InChIKeyIFJMZRCIPYRAAN-UHFFFAOYSA-N
XLogP3.01
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde (CID 11241955) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde is CC(C)(C)[Si](C)(C)OCc1nc(C=O)co1.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde?
The InChIKey is IFJMZRCIPYRAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3Si/c1-11(2,3)16(4,5)15-8-10-12-9(6-13)7-14-10/h6-7H,8H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde has a molecular weight of 241.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 11241955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).