dibutyltin;methane

C9H22Sn — CID 158142869

IUPACdibutyltin;methane
SMILESC.CCCC[Sn]CCCC
InChIInChI=1S/2C4H9.CH4.Sn/c2*1-3-4-2;;/h2*1,3-4H2,2H3;1H4;
InChIKeyJOLKUWKLYZCITO-UHFFFAOYSA-N
MW248.99 g/mol
LogP3.76
Rot. Bonds6

About dibutyltin;methane

dibutyltin;methane (PubChem CID 158142869) has the molecular formula C9H22Sn and a molecular weight of 248.99 g/mol. Its IUPAC name is dibutyltin;methane.

Molecular Properties

Compound Namedibutyltin;methane
PubChem CID158142869
Molecular FormulaC9H22Sn
Molecular Weight248.99 g/mol
Exact Mass250.07
IUPAC Namedibutyltin;methane
SMILESC.CCCC[Sn]CCCC
InChIInChI=1S/2C4H9.CH4.Sn/c2*1-3-4-2;;/h2*1,3-4H2,2H3;1H4;
InChIKeyJOLKUWKLYZCITO-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.99
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dibutyltin;methane with MolForge

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

Launch Full Analysis

Related Compounds

dibutyltin
CID 6484
dibutyltin;λ2-stannane
CID 174939385
dibutyltin;silane
CID 163880557
chloro hypochlorite;dibutyltin
CID 87460481
dibutyltin;tris(ethane-1,1,1,2,2,2-hexol)
CID 173133836
butyl(3-hydroxypropyl)tin
CID 177489361
didodecyltin;dihydrate
CID 87238842
1-butoxybutane;dibutyltin
CID 87184018
acetic acid;bis(dibutyltin);hydrate
CID 173025029
dibutyltin;dimethoxysilane
CID 157060986
dibutyltin;2-hydroxyacetic acid
CID 87134972
dibutyltin;1-heptoxyheptane
CID 87183821

Frequently Asked Questions

What is the IUPAC name of dibutyltin;methane?
The IUPAC name of dibutyltin;methane (CID 158142869) is dibutyltin;methane.
What is the SMILES notation for dibutyltin;methane?
The canonical SMILES for dibutyltin;methane is C.CCCC[Sn]CCCC.
What is the InChIKey of dibutyltin;methane?
The InChIKey is JOLKUWKLYZCITO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.CH4.Sn/c2*1-3-4-2;;/h2*1,3-4H2,2H3;1H4;.
What are the key properties of dibutyltin;methane?
dibutyltin;methane has a molecular weight of 248.99 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;methane is sourced from PubChem (CID 158142869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).