dibutyl-(2-methylbut-3-en-2-yl)-phenylstannane

C19H32Sn — CID 10619687

IUPACdibutyl-(2-methylbut-3-en-2-yl)-phenylstannane
SMILESC=CC(C)(C)[Sn](CCCC)(CCCC)c1ccccc1
InChIInChI=1S/C6H5.C5H9.2C4H9.Sn/c1-2-4-6-5-3-1;1-4-5(2)3;2*1-3-4-2;/h1-5H;4H,1H2,2-3H3;2*1,3-4H2,2H3;
InChIKeyJFYLUELYLMNKNP-UHFFFAOYSA-N
MW379.18 g/mol
LogP5.91
Rot. Bonds9

About dibutyl-(2-methylbut-3-en-2-yl)-phenylstannane

dibutyl-(2-methylbut-3-en-2-yl)-phenylstannane (PubChem CID 10619687) has the molecular formula C19H32Sn and a molecular weight of 379.18 g/mol. Its IUPAC name is dibutyl-(2-methylbut-3-en-2-yl)-phenylstannane.

Molecular Properties

Compound Namedibutyl-(2-methylbut-3-en-2-yl)-phenylstannane
PubChem CID10619687
Molecular FormulaC19H32Sn
Molecular Weight379.18 g/mol
Exact Mass380.15
IUPAC Namedibutyl-(2-methylbut-3-en-2-yl)-phenylstannane
SMILESC=CC(C)(C)[Sn](CCCC)(CCCC)c1ccccc1
InChIInChI=1S/C6H5.C5H9.2C4H9.Sn/c1-2-4-6-5-3-1;1-4-5(2)3;2*1-3-4-2;/h1-5H;4H,1H2,2-3H3;2*1,3-4H2,2H3;
InChIKeyJFYLUELYLMNKNP-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.18
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dibutyl-(2-methylbut-3-en-2-yl)-phenylstannane 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 dibutyl-(2-methylbut-3-en-2-yl)-phenylstannane?
The IUPAC name of dibutyl-(2-methylbut-3-en-2-yl)-phenylstannane (CID 10619687) is dibutyl-(2-methylbut-3-en-2-yl)-phenylstannane.
What is the SMILES notation for dibutyl-(2-methylbut-3-en-2-yl)-phenylstannane?
The canonical SMILES for dibutyl-(2-methylbut-3-en-2-yl)-phenylstannane is C=CC(C)(C)[Sn](CCCC)(CCCC)c1ccccc1.
What is the InChIKey of dibutyl-(2-methylbut-3-en-2-yl)-phenylstannane?
The InChIKey is JFYLUELYLMNKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C5H9.2C4H9.Sn/c1-2-4-6-5-3-1;1-4-5(2)3;2*1-3-4-2;/h1-5H;4H,1H2,2-3H3;2*1,3-4H2,2H3;.
What are the key properties of dibutyl-(2-methylbut-3-en-2-yl)-phenylstannane?
dibutyl-(2-methylbut-3-en-2-yl)-phenylstannane has a molecular weight of 379.18 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(2-methylbut-3-en-2-yl)-phenylstannane is sourced from PubChem (CID 10619687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).