tributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane

C23H39ClOSn — CID 177431043

IUPACtributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/COCC)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClO.3C4H9.Sn/c1-2-13-9-3-4-10-5-7-11(12)8-6-10;3*1-3-4-2;/h3,5-8H,2,9H2,1H3;3*1,3-4H2,2H3;
InChIKeyYLRUHYSRLFYTDJ-UHFFFAOYSA-N
MW485.73 g/mol
LogP8.15
Rot. Bonds14

About tributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane

tributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane (PubChem CID 177431043) has the molecular formula C23H39ClOSn and a molecular weight of 485.73 g/mol. Its IUPAC name is tributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane
PubChem CID177431043
Molecular FormulaC23H39ClOSn
Molecular Weight485.73 g/mol
Exact Mass486.17
IUPAC Nametributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/COCC)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClO.3C4H9.Sn/c1-2-13-9-3-4-10-5-7-11(12)8-6-10;3*1-3-4-2;/h3,5-8H,2,9H2,1H3;3*1,3-4H2,2H3;
InChIKeyYLRUHYSRLFYTDJ-UHFFFAOYSA-N
XLogP8.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.73
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane 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 tributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane (CID 177431043) is tributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane is CCCC[Sn](CCCC)(CCCC)/C(=C/COCC)c1ccc(Cl)cc1.
What is the InChIKey of tributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane?
The InChIKey is YLRUHYSRLFYTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClO.3C4H9.Sn/c1-2-13-9-3-4-10-5-7-11(12)8-6-10;3*1-3-4-2;/h3,5-8H,2,9H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane?
tributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane has a molecular weight of 485.73 g/mol, XLogP of 8.15, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-1-(4-chlorophenyl)-3-ethoxyprop-1-enyl]stannane is sourced from PubChem (CID 177431043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).