dibutyl(2-ethoxyethyl)stannanylium chloride

C12H27ClOSn — CID 19980968

IUPACdibutyl(2-ethoxyethyl)stannanylium chloride
SMILESCCCC[Sn+](CCCC)CCOCC.[Cl-]
InChIInChI=1S/C4H9O.2C4H9.ClH.Sn/c1-3-5-4-2;2*1-3-4-2;;/h1,3-4H2,2H3;2*1,3-4H2,2H3;1H;/q;;;;+1/p-1
InChIKeyGOLOTTWLXQSQGM-UHFFFAOYSA-M
MW341.51 g/mol
LogP1.12
Rot. Bonds10

About dibutyl(2-ethoxyethyl)stannanylium chloride

dibutyl(2-ethoxyethyl)stannanylium chloride (PubChem CID 19980968) has the molecular formula C12H27ClOSn and a molecular weight of 341.51 g/mol. Its IUPAC name is dibutyl(2-ethoxyethyl)stannanylium chloride.

Molecular Properties

Compound Namedibutyl(2-ethoxyethyl)stannanylium chloride
PubChem CID19980968
Molecular FormulaC12H27ClOSn
Molecular Weight341.51 g/mol
Exact Mass342.08
IUPAC Namedibutyl(2-ethoxyethyl)stannanylium chloride
SMILESCCCC[Sn+](CCCC)CCOCC.[Cl-]
InChIInChI=1S/C4H9O.2C4H9.ClH.Sn/c1-3-5-4-2;2*1-3-4-2;;/h1,3-4H2,2H3;2*1,3-4H2,2H3;1H;/q;;;;+1/p-1
InChIKeyGOLOTTWLXQSQGM-UHFFFAOYSA-M
XLogP1.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.51
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dibutyl(propyl)stannanylium chloride
CID 23200296
azane;tributylstannanylium
CID 172708853
sulfanide;tributylstannanylium
CID 13070078
copper(1+);bis(tributylstannanylium)
CID 19840058
dibutyl(octyl)stannanylium chloride
CID 88642054
tri(tetradecyl)stannanylium chloride
CID 88819643
dibutyl(docosyl)stannanylium
CID 175600993
ethane;1-ethoxybutane
CID 143206406
ethane;1-ethoxybutane;molecular hydrogen
CID 143792167
butane-1-thiolate;tributylstannanylium
CID 6102132
1-(3-ethoxypropylperoxy)butane
CID 154387522
ethane-1,2-diol;1-ethoxybutane
CID 23504299

Frequently Asked Questions

What is the IUPAC name of dibutyl(2-ethoxyethyl)stannanylium chloride?
The IUPAC name of dibutyl(2-ethoxyethyl)stannanylium chloride (CID 19980968) is dibutyl(2-ethoxyethyl)stannanylium chloride.
What is the SMILES notation for dibutyl(2-ethoxyethyl)stannanylium chloride?
The canonical SMILES for dibutyl(2-ethoxyethyl)stannanylium chloride is CCCC[Sn+](CCCC)CCOCC.[Cl-].
What is the InChIKey of dibutyl(2-ethoxyethyl)stannanylium chloride?
The InChIKey is GOLOTTWLXQSQGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O.2C4H9.ClH.Sn/c1-3-5-4-2;2*1-3-4-2;;/h1,3-4H2,2H3;2*1,3-4H2,2H3;1H;/q;;;;+1/p-1.
What are the key properties of dibutyl(2-ethoxyethyl)stannanylium chloride?
dibutyl(2-ethoxyethyl)stannanylium chloride has a molecular weight of 341.51 g/mol, XLogP of 1.12, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(2-ethoxyethyl)stannanylium chloride is sourced from PubChem (CID 19980968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).