didodecyltin;1-octadecoxyoctadecane

C60H124OSn — CID 160837697

IUPACdidodecyltin;1-octadecoxyoctadecane
SMILESCCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCC[Sn]CCCCCCCCCCCC
InChIInChI=1S/C36H74O.2C12H25.Sn/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2*1-3-5-7-9-11-12-10-8-6-4-2;/h3-36H2,1-2H3;2*1,3-12H2,2H3;
InChIKeySHPSZHLTWWXRQB-UHFFFAOYSA-N
MW980.36 g/mol
LogP22.90
Rot. Bonds56

About didodecyltin;1-octadecoxyoctadecane

didodecyltin;1-octadecoxyoctadecane (PubChem CID 160837697) has the molecular formula C60H124OSn and a molecular weight of 980.36 g/mol. Its IUPAC name is didodecyltin;1-octadecoxyoctadecane.

Molecular Properties

Compound Namedidodecyltin;1-octadecoxyoctadecane
PubChem CID160837697
Molecular FormulaC60H124OSn
Molecular Weight980.36 g/mol
Exact Mass980.87
IUPAC Namedidodecyltin;1-octadecoxyoctadecane
SMILESCCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCC[Sn]CCCCCCCCCCCC
InChIInChI=1S/C36H74O.2C12H25.Sn/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2*1-3-5-7-9-11-12-10-8-6-4-2;/h3-36H2,1-2H3;2*1,3-12H2,2H3;
InChIKeySHPSZHLTWWXRQB-UHFFFAOYSA-N
XLogP22.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds56
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.36
LogP ≤ 522.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze didodecyltin;1-octadecoxyoctadecane 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;1-heptoxyheptane
CID 87183821
1-butoxybutane;dibutyltin
CID 87184018
1-decoxydocosane
CID 87077677
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
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-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953

Frequently Asked Questions

What is the IUPAC name of didodecyltin;1-octadecoxyoctadecane?
The IUPAC name of didodecyltin;1-octadecoxyoctadecane (CID 160837697) is didodecyltin;1-octadecoxyoctadecane.
What is the SMILES notation for didodecyltin;1-octadecoxyoctadecane?
The canonical SMILES for didodecyltin;1-octadecoxyoctadecane is CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCC[Sn]CCCCCCCCCCCC.
What is the InChIKey of didodecyltin;1-octadecoxyoctadecane?
The InChIKey is SHPSZHLTWWXRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74O.2C12H25.Sn/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2*1-3-5-7-9-11-12-10-8-6-4-2;/h3-36H2,1-2H3;2*1,3-12H2,2H3;.
What are the key properties of didodecyltin;1-octadecoxyoctadecane?
didodecyltin;1-octadecoxyoctadecane has a molecular weight of 980.36 g/mol, XLogP of 22.90, 56 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyltin;1-octadecoxyoctadecane is sourced from PubChem (CID 160837697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).