5-tributylstannylfuran-3-carbaldehyde

C17H30O2Sn — CID 10959991

IUPAC5-tributylstannylfuran-3-carbaldehyde
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C=O)co1
InChIInChI=1S/C5H3O2.3C4H9.Sn/c6-3-5-1-2-7-4-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3;
InChIKeyUPDSERLEJJWQET-UHFFFAOYSA-N
MW385.14 g/mol
LogP5.15
Rot. Bonds11

About 5-tributylstannylfuran-3-carbaldehyde

5-tributylstannylfuran-3-carbaldehyde (PubChem CID 10959991) has the molecular formula C17H30O2Sn and a molecular weight of 385.14 g/mol. Its IUPAC name is 5-tributylstannylfuran-3-carbaldehyde.

Molecular Properties

Compound Name5-tributylstannylfuran-3-carbaldehyde
PubChem CID10959991
Molecular FormulaC17H30O2Sn
Molecular Weight385.14 g/mol
Exact Mass386.13
IUPAC Name5-tributylstannylfuran-3-carbaldehyde
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C=O)co1
InChIInChI=1S/C5H3O2.3C4H9.Sn/c6-3-5-1-2-7-4-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3;
InChIKeyUPDSERLEJJWQET-UHFFFAOYSA-N
XLogP5.15
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.14
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tributylstannylfuran-3-carbaldehyde?
The IUPAC name of 5-tributylstannylfuran-3-carbaldehyde (CID 10959991) is 5-tributylstannylfuran-3-carbaldehyde.
What is the SMILES notation for 5-tributylstannylfuran-3-carbaldehyde?
The canonical SMILES for 5-tributylstannylfuran-3-carbaldehyde is CCCC[Sn](CCCC)(CCCC)c1cc(C=O)co1.
What is the InChIKey of 5-tributylstannylfuran-3-carbaldehyde?
The InChIKey is UPDSERLEJJWQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3O2.3C4H9.Sn/c6-3-5-1-2-7-4-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3;.
What are the key properties of 5-tributylstannylfuran-3-carbaldehyde?
5-tributylstannylfuran-3-carbaldehyde has a molecular weight of 385.14 g/mol, XLogP of 5.15, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tributylstannylfuran-3-carbaldehyde is sourced from PubChem (CID 10959991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).