dibutyl(octyl)stannanylium chloride

C16H35ClSn — CID 88642054

IUPACdibutyl(octyl)stannanylium chloride
SMILESCCCCCCCC[Sn+](CCCC)CCCC.[Cl-]
InChIInChI=1S/C8H17.2C4H9.ClH.Sn/c1-3-5-7-8-6-4-2;2*1-3-4-2;;/h1,3-8H2,2H3;2*1,3-4H2,2H3;1H;/q;;;;+1/p-1
InChIKeyNPZMTRHBPZAOPS-UHFFFAOYSA-M
MW381.62 g/mol
LogP3.45
Rot. Bonds13

About dibutyl(octyl)stannanylium chloride

dibutyl(octyl)stannanylium chloride (PubChem CID 88642054) has the molecular formula C16H35ClSn and a molecular weight of 381.62 g/mol. Its IUPAC name is dibutyl(octyl)stannanylium chloride.

Molecular Properties

Compound Namedibutyl(octyl)stannanylium chloride
PubChem CID88642054
Molecular FormulaC16H35ClSn
Molecular Weight381.62 g/mol
Exact Mass382.14
IUPAC Namedibutyl(octyl)stannanylium chloride
SMILESCCCCCCCC[Sn+](CCCC)CCCC.[Cl-]
InChIInChI=1S/C8H17.2C4H9.ClH.Sn/c1-3-5-7-8-6-4-2;2*1-3-4-2;;/h1,3-8H2,2H3;2*1,3-4H2,2H3;1H;/q;;;;+1/p-1
InChIKeyNPZMTRHBPZAOPS-UHFFFAOYSA-M
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.62
LogP ≤ 53.45
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

tri(tetradecyl)stannanylium chloride
CID 88819643
dibutyl(docosyl)stannanylium
CID 175600993
dibutyl(octyl)stannanylium
CID 87200791
methanolate;trioctylstannanylium
CID 23295104
dibutyl(propyl)stannanylium chloride
CID 23200296
azane;tributylstannanylium
CID 172708853
sulfanide;tributylstannanylium
CID 13070078
copper(1+);bis(tributylstannanylium)
CID 19840058
6-methylheptyl(dioctyl)stannanylium
CID 160589874
undecane chloride
CID 19736895
octadecanoate;trioctylstannanylium
CID 23208965
N,N-dimethylcarbamodithioate;trioctylstannanylium
CID 20561757

Frequently Asked Questions

What is the IUPAC name of dibutyl(octyl)stannanylium chloride?
The IUPAC name of dibutyl(octyl)stannanylium chloride (CID 88642054) is dibutyl(octyl)stannanylium chloride.
What is the SMILES notation for dibutyl(octyl)stannanylium chloride?
The canonical SMILES for dibutyl(octyl)stannanylium chloride is CCCCCCCC[Sn+](CCCC)CCCC.[Cl-].
What is the InChIKey of dibutyl(octyl)stannanylium chloride?
The InChIKey is NPZMTRHBPZAOPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17.2C4H9.ClH.Sn/c1-3-5-7-8-6-4-2;2*1-3-4-2;;/h1,3-8H2,2H3;2*1,3-4H2,2H3;1H;/q;;;;+1/p-1.
What are the key properties of dibutyl(octyl)stannanylium chloride?
dibutyl(octyl)stannanylium chloride has a molecular weight of 381.62 g/mol, XLogP of 3.45, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(octyl)stannanylium chloride is sourced from PubChem (CID 88642054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).