dibutyl(docosyl)stannanylium

C30H63Sn+ — CID 175600993

IUPACdibutyl(docosyl)stannanylium
SMILESCCCCCCCCCCCCCCCCCCCCCC[Sn+](CCCC)CCCC
InChIInChI=1S/C22H45.2C4H9.Sn/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;2*1-3-4-2;/h1,3-22H2,2H3;2*1,3-4H2,2H3;/q;;;+1
InChIKeyWDXYLYYHXDUYOW-UHFFFAOYSA-N
MW542.55 g/mol
LogP11.90
Rot. Bonds27

About dibutyl(docosyl)stannanylium

dibutyl(docosyl)stannanylium (PubChem CID 175600993) has the molecular formula C30H63Sn+ and a molecular weight of 542.55 g/mol. Its IUPAC name is dibutyl(docosyl)stannanylium.

Molecular Properties

Compound Namedibutyl(docosyl)stannanylium
PubChem CID175600993
Molecular FormulaC30H63Sn+
Molecular Weight542.55 g/mol
Exact Mass543.39
IUPAC Namedibutyl(docosyl)stannanylium
SMILESCCCCCCCCCCCCCCCCCCCCCC[Sn+](CCCC)CCCC
InChIInChI=1S/C22H45.2C4H9.Sn/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;2*1-3-4-2;/h1,3-22H2,2H3;2*1,3-4H2,2H3;/q;;;+1
InChIKeyWDXYLYYHXDUYOW-UHFFFAOYSA-N
XLogP11.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.55
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dibutyl(octyl)stannanylium
CID 87200791
dibutyl(octyl)stannanylium chloride
CID 88642054
tri(tetradecyl)stannanylium chloride
CID 88819643
methanolate;trioctylstannanylium
CID 23295104
azane;tributylstannanylium
CID 172708853
sulfanide;tributylstannanylium
CID 13070078
copper(1+);bis(tributylstannanylium)
CID 19840058
dibutyl(propyl)stannanylium chloride
CID 23200296
6-methylheptyl(dioctyl)stannanylium
CID 160589874
octadecanoate;trioctylstannanylium
CID 23208965
N,N-dimethylcarbamodithioate;trioctylstannanylium
CID 20561757
dihexyl(methyl)stannanylium
CID 21161779

Frequently Asked Questions

What is the IUPAC name of dibutyl(docosyl)stannanylium?
The IUPAC name of dibutyl(docosyl)stannanylium (CID 175600993) is dibutyl(docosyl)stannanylium.
What is the SMILES notation for dibutyl(docosyl)stannanylium?
The canonical SMILES for dibutyl(docosyl)stannanylium is CCCCCCCCCCCCCCCCCCCCCC[Sn+](CCCC)CCCC.
What is the InChIKey of dibutyl(docosyl)stannanylium?
The InChIKey is WDXYLYYHXDUYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45.2C4H9.Sn/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;2*1-3-4-2;/h1,3-22H2,2H3;2*1,3-4H2,2H3;/q;;;+1.
What are the key properties of dibutyl(docosyl)stannanylium?
dibutyl(docosyl)stannanylium has a molecular weight of 542.55 g/mol, XLogP of 11.90, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(docosyl)stannanylium is sourced from PubChem (CID 175600993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).