4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde

C11H19NO2Si — CID 141430833

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1c[nH]cc1C=O
InChIInChI=1S/C11H19NO2Si/c1-11(2,3)15(4,5)14-10-7-12-6-9(10)8-13/h6-8,12H,1-5H3
InChIKeyIRVDVVUXSPCZDW-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.21
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde

4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde (PubChem CID 141430833) has the molecular formula C11H19NO2Si and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde
PubChem CID141430833
Molecular FormulaC11H19NO2Si
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1c[nH]cc1C=O
InChIInChI=1S/C11H19NO2Si/c1-11(2,3)15(4,5)14-10-7-12-6-9(10)8-13/h6-8,12H,1-5H3
InChIKeyIRVDVVUXSPCZDW-UHFFFAOYSA-N
XLogP3.21
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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]oxy-1H-pyrrole-3-carbaldehyde?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde (CID 141430833) is 4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde is CC(C)(C)[Si](C)(C)Oc1c[nH]cc1C=O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde?
The InChIKey is IRVDVVUXSPCZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2Si/c1-11(2,3)15(4,5)14-10-7-12-6-9(10)8-13/h6-8,12H,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde?
4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde has a molecular weight of 225.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1H-pyrrole-3-carbaldehyde is sourced from PubChem (CID 141430833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).