4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde

C12H19ClO2SSi — CID 131745495

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C=O)sc1Cl
InChIInChI=1S/C12H19ClO2SSi/c1-12(2,3)17(4,5)15-8-9-6-10(7-14)16-11(9)13/h6-7H,8H2,1-5H3
InChIKeyWSINWJOYLBMJPY-UHFFFAOYSA-N
MW290.89 g/mol
LogP4.74
Rot. Bonds4

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde (PubChem CID 131745495) has the molecular formula C12H19ClO2SSi and a molecular weight of 290.89 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde
PubChem CID131745495
Molecular FormulaC12H19ClO2SSi
Molecular Weight290.89 g/mol
Exact Mass290.06
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C=O)sc1Cl
InChIInChI=1S/C12H19ClO2SSi/c1-12(2,3)17(4,5)15-8-9-6-10(7-14)16-11(9)13/h6-7H,8H2,1-5H3
InChIKeyWSINWJOYLBMJPY-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.89
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde (CID 131745495) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde is CC(C)(C)[Si](C)(C)OCc1cc(C=O)sc1Cl.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde?
The InChIKey is WSINWJOYLBMJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClO2SSi/c1-12(2,3)17(4,5)15-8-9-6-10(7-14)16-11(9)13/h6-7H,8H2,1-5H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde has a molecular weight of 290.89 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde is sourced from PubChem (CID 131745495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).