3-trimethylstannyldibenzofuran-1-carbaldehyde

C16H16O2Sn — CID 19737920

IUPAC3-trimethylstannyldibenzofuran-1-carbaldehyde
SMILESC[Sn](C)(C)c1cc(C=O)c2c(c1)oc1ccccc12
InChIInChI=1S/C13H7O2.3CH3.Sn/c14-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)15-12;;;;/h1-2,4-8H;3*1H3;
InChIKeyACAXWCLETZACAZ-UHFFFAOYSA-N
MW359.01 g/mol
LogP3.94
Rot. Bonds2

About 3-trimethylstannyldibenzofuran-1-carbaldehyde

3-trimethylstannyldibenzofuran-1-carbaldehyde (PubChem CID 19737920) has the molecular formula C16H16O2Sn and a molecular weight of 359.01 g/mol. Its IUPAC name is 3-trimethylstannyldibenzofuran-1-carbaldehyde.

Molecular Properties

Compound Name3-trimethylstannyldibenzofuran-1-carbaldehyde
PubChem CID19737920
Molecular FormulaC16H16O2Sn
Molecular Weight359.01 g/mol
Exact Mass360.02
IUPAC Name3-trimethylstannyldibenzofuran-1-carbaldehyde
SMILESC[Sn](C)(C)c1cc(C=O)c2c(c1)oc1ccccc12
InChIInChI=1S/C13H7O2.3CH3.Sn/c14-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)15-12;;;;/h1-2,4-8H;3*1H3;
InChIKeyACAXWCLETZACAZ-UHFFFAOYSA-N
XLogP3.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.01
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-trimethylstannyldibenzofuran-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-trimethylstannyldibenzofuran-1-carbaldehyde?
The IUPAC name of 3-trimethylstannyldibenzofuran-1-carbaldehyde (CID 19737920) is 3-trimethylstannyldibenzofuran-1-carbaldehyde.
What is the SMILES notation for 3-trimethylstannyldibenzofuran-1-carbaldehyde?
The canonical SMILES for 3-trimethylstannyldibenzofuran-1-carbaldehyde is C[Sn](C)(C)c1cc(C=O)c2c(c1)oc1ccccc12.
What is the InChIKey of 3-trimethylstannyldibenzofuran-1-carbaldehyde?
The InChIKey is ACAXWCLETZACAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7O2.3CH3.Sn/c14-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)15-12;;;;/h1-2,4-8H;3*1H3;.
What are the key properties of 3-trimethylstannyldibenzofuran-1-carbaldehyde?
3-trimethylstannyldibenzofuran-1-carbaldehyde has a molecular weight of 359.01 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylstannyldibenzofuran-1-carbaldehyde is sourced from PubChem (CID 19737920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).