dibutyl(octyl)stannanylium

C16H35Sn+ — CID 87200791

IUPACdibutyl(octyl)stannanylium
SMILESCCCCCCCC[Sn+](CCCC)CCCC
InChIInChI=1S/C8H17.2C4H9.Sn/c1-3-5-7-8-6-4-2;2*1-3-4-2;/h1,3-8H2,2H3;2*1,3-4H2,2H3;/q;;;+1
InChIKeyWRIUVYPJTXMDQC-UHFFFAOYSA-N
MW346.17 g/mol
LogP6.44
Rot. Bonds13

About dibutyl(octyl)stannanylium

dibutyl(octyl)stannanylium (PubChem CID 87200791) has the molecular formula C16H35Sn+ and a molecular weight of 346.17 g/mol. Its IUPAC name is dibutyl(octyl)stannanylium.

Molecular Properties

Compound Namedibutyl(octyl)stannanylium
PubChem CID87200791
Molecular FormulaC16H35Sn+
Molecular Weight346.17 g/mol
Exact Mass347.18
IUPAC Namedibutyl(octyl)stannanylium
SMILESCCCCCCCC[Sn+](CCCC)CCCC
InChIInChI=1S/C8H17.2C4H9.Sn/c1-3-5-7-8-6-4-2;2*1-3-4-2;/h1,3-8H2,2H3;2*1,3-4H2,2H3;/q;;;+1
InChIKeyWRIUVYPJTXMDQC-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.17
LogP ≤ 56.44
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(docosyl)stannanylium
CID 175600993
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(octyl)stannanylium?
The IUPAC name of dibutyl(octyl)stannanylium (CID 87200791) is dibutyl(octyl)stannanylium.
What is the SMILES notation for dibutyl(octyl)stannanylium?
The canonical SMILES for dibutyl(octyl)stannanylium is CCCCCCCC[Sn+](CCCC)CCCC.
What is the InChIKey of dibutyl(octyl)stannanylium?
The InChIKey is WRIUVYPJTXMDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.2C4H9.Sn/c1-3-5-7-8-6-4-2;2*1-3-4-2;/h1,3-8H2,2H3;2*1,3-4H2,2H3;/q;;;+1.
What are the key properties of dibutyl(octyl)stannanylium?
dibutyl(octyl)stannanylium has a molecular weight of 346.17 g/mol, XLogP of 6.44, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(octyl)stannanylium is sourced from PubChem (CID 87200791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).