dibutyltin;1-heptoxyheptane

C22H48OSn — CID 87183821

IUPACdibutyltin;1-heptoxyheptane
SMILESCCCCCCCOCCCCCCC.CCCC[Sn]CCCC
InChIInChI=1S/C14H30O.2C4H9.Sn/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;2*1-3-4-2;/h3-14H2,1-2H3;2*1,3-4H2,2H3;
InChIKeyLORLWEGQXOANLP-UHFFFAOYSA-N
MW447.34 g/mol
LogP8.07
Rot. Bonds18

About dibutyltin;1-heptoxyheptane

dibutyltin;1-heptoxyheptane (PubChem CID 87183821) has the molecular formula C22H48OSn and a molecular weight of 447.34 g/mol. Its IUPAC name is dibutyltin;1-heptoxyheptane.

Molecular Properties

Compound Namedibutyltin;1-heptoxyheptane
PubChem CID87183821
Molecular FormulaC22H48OSn
Molecular Weight447.34 g/mol
Exact Mass448.27
IUPAC Namedibutyltin;1-heptoxyheptane
SMILESCCCCCCCOCCCCCCC.CCCC[Sn]CCCC
InChIInChI=1S/C14H30O.2C4H9.Sn/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;2*1-3-4-2;/h3-14H2,1-2H3;2*1,3-4H2,2H3;
InChIKeyLORLWEGQXOANLP-UHFFFAOYSA-N
XLogP8.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.34
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dibutyltin;1-heptoxyheptane 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

didodecyltin;1-octadecoxyoctadecane
CID 160837697
1-butoxybutane;dibutyltin
CID 87184018
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
butyl(methyl)tin;1-heptoxyheptane
CID 87375553
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704

Frequently Asked Questions

What is the IUPAC name of dibutyltin;1-heptoxyheptane?
The IUPAC name of dibutyltin;1-heptoxyheptane (CID 87183821) is dibutyltin;1-heptoxyheptane.
What is the SMILES notation for dibutyltin;1-heptoxyheptane?
The canonical SMILES for dibutyltin;1-heptoxyheptane is CCCCCCCOCCCCCCC.CCCC[Sn]CCCC.
What is the InChIKey of dibutyltin;1-heptoxyheptane?
The InChIKey is LORLWEGQXOANLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O.2C4H9.Sn/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;2*1-3-4-2;/h3-14H2,1-2H3;2*1,3-4H2,2H3;.
What are the key properties of dibutyltin;1-heptoxyheptane?
dibutyltin;1-heptoxyheptane has a molecular weight of 447.34 g/mol, XLogP of 8.07, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;1-heptoxyheptane is sourced from PubChem (CID 87183821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).