dihexyl(methyl)stannanylium

C13H29Sn+ — CID 21161779

IUPACdihexyl(methyl)stannanylium
SMILESCCCCCC[Sn+](C)CCCCCC
InChIInChI=1S/2C6H13.CH3.Sn/c2*1-3-5-6-4-2;;/h2*1,3-6H2,2H3;1H3;/q;;;+1
InChIKeyBDPSLZFUZNWUMK-UHFFFAOYSA-N
MW304.09 g/mol
LogP5.27
Rot. Bonds10

About dihexyl(methyl)stannanylium

dihexyl(methyl)stannanylium (PubChem CID 21161779) has the molecular formula C13H29Sn+ and a molecular weight of 304.09 g/mol. Its IUPAC name is dihexyl(methyl)stannanylium.

Molecular Properties

Compound Namedihexyl(methyl)stannanylium
PubChem CID21161779
Molecular FormulaC13H29Sn+
Molecular Weight304.09 g/mol
Exact Mass305.13
IUPAC Namedihexyl(methyl)stannanylium
SMILESCCCCCC[Sn+](C)CCCCCC
InChIInChI=1S/2C6H13.CH3.Sn/c2*1-3-5-6-4-2;;/h2*1,3-6H2,2H3;1H3;/q;;;+1
InChIKeyBDPSLZFUZNWUMK-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.09
LogP ≤ 55.27
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
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644
CID 161246447
CID 161246447
henoctacontane
CID 22086342
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of dihexyl(methyl)stannanylium?
The IUPAC name of dihexyl(methyl)stannanylium (CID 21161779) is dihexyl(methyl)stannanylium.
What is the SMILES notation for dihexyl(methyl)stannanylium?
The canonical SMILES for dihexyl(methyl)stannanylium is CCCCCC[Sn+](C)CCCCCC.
What is the InChIKey of dihexyl(methyl)stannanylium?
The InChIKey is BDPSLZFUZNWUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13.CH3.Sn/c2*1-3-5-6-4-2;;/h2*1,3-6H2,2H3;1H3;/q;;;+1.
What are the key properties of dihexyl(methyl)stannanylium?
dihexyl(methyl)stannanylium has a molecular weight of 304.09 g/mol, XLogP of 5.27, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl(methyl)stannanylium is sourced from PubChem (CID 21161779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).