6-methylheptyl(dioctyl)stannanylium

C24H51Sn+ — CID 160589874

IUPAC6-methylheptyl(dioctyl)stannanylium
SMILESCCCCCCCC[Sn+](CCCCCCCC)CCCCCC(C)C
InChIInChI=1S/3C8H17.Sn/c1-4-5-6-7-8(2)3;2*1-3-5-7-8-6-4-2;/h8H,1,4-7H2,2-3H3;2*1,3-8H2,2H3;/q;;;+1
InChIKeyUFPDRTKZMXVBTG-UHFFFAOYSA-N
MW458.38 g/mol
LogP9.42
Rot. Bonds20

About 6-methylheptyl(dioctyl)stannanylium

6-methylheptyl(dioctyl)stannanylium (PubChem CID 160589874) has the molecular formula C24H51Sn+ and a molecular weight of 458.38 g/mol. Its IUPAC name is 6-methylheptyl(dioctyl)stannanylium.

Molecular Properties

Compound Name6-methylheptyl(dioctyl)stannanylium
PubChem CID160589874
Molecular FormulaC24H51Sn+
Molecular Weight458.38 g/mol
Exact Mass459.30
IUPAC Name6-methylheptyl(dioctyl)stannanylium
SMILESCCCCCCCC[Sn+](CCCCCCCC)CCCCCC(C)C
InChIInChI=1S/3C8H17.Sn/c1-4-5-6-7-8(2)3;2*1-3-5-7-8-6-4-2;/h8H,1,4-7H2,2-3H3;2*1,3-8H2,2H3;/q;;;+1
InChIKeyUFPDRTKZMXVBTG-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.38
LogP ≤ 59.42
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

2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
alumane;2-methyldecane
CID 174844655
azane;2-methyloctadecane
CID 175414560
2-methylnonane;heptahydrofluoride
CID 160801749
methane;2-methylicosane
CID 157337652
2-methyltricosane;hydrate
CID 172783998
2-methylheptadecane;hydrobromide
CID 174866228
ethane;2-methyloctane;pentane
CID 144527652
2-methylbutane;2-methyltridecane
CID 54106775

Frequently Asked Questions

What is the IUPAC name of 6-methylheptyl(dioctyl)stannanylium?
The IUPAC name of 6-methylheptyl(dioctyl)stannanylium (CID 160589874) is 6-methylheptyl(dioctyl)stannanylium.
What is the SMILES notation for 6-methylheptyl(dioctyl)stannanylium?
The canonical SMILES for 6-methylheptyl(dioctyl)stannanylium is CCCCCCCC[Sn+](CCCCCCCC)CCCCCC(C)C.
What is the InChIKey of 6-methylheptyl(dioctyl)stannanylium?
The InChIKey is UFPDRTKZMXVBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H17.Sn/c1-4-5-6-7-8(2)3;2*1-3-5-7-8-6-4-2;/h8H,1,4-7H2,2-3H3;2*1,3-8H2,2H3;/q;;;+1.
What are the key properties of 6-methylheptyl(dioctyl)stannanylium?
6-methylheptyl(dioctyl)stannanylium has a molecular weight of 458.38 g/mol, XLogP of 9.42, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptyl(dioctyl)stannanylium is sourced from PubChem (CID 160589874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).