bis(4-hexylphenyl)tin

C24H34Sn — CID 177496129

IUPACbis(4-hexylphenyl)tin
SMILESCCCCCCc1ccc([Sn]c2ccc(CCCCCC)cc2)cc1
InChIInChI=1S/2C12H17.Sn/c2*1-2-3-4-6-9-12-10-7-5-8-11-12;/h2*7-8,10-11H,2-4,6,9H2,1H3;
InChIKeyFAODJBPDZRSLFQ-UHFFFAOYSA-N
MW441.25 g/mol
LogP5.59
Rot. Bonds12

About bis(4-hexylphenyl)tin

bis(4-hexylphenyl)tin (PubChem CID 177496129) has the molecular formula C24H34Sn and a molecular weight of 441.25 g/mol. Its IUPAC name is bis(4-hexylphenyl)tin.

Molecular Properties

Compound Namebis(4-hexylphenyl)tin
PubChem CID177496129
Molecular FormulaC24H34Sn
Molecular Weight441.25 g/mol
Exact Mass442.17
IUPAC Namebis(4-hexylphenyl)tin
SMILESCCCCCCc1ccc([Sn]c2ccc(CCCCCC)cc2)cc1
InChIInChI=1S/2C12H17.Sn/c2*1-2-3-4-6-9-12-10-7-5-8-11-12;/h2*7-8,10-11H,2-4,6,9H2,1H3;
InChIKeyFAODJBPDZRSLFQ-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.25
LogP ≤ 55.59
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

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CID 598602
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CID 59957588
CID 59957588
1-iodo-4-octadecylbenzene
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CID 59759292
CID 59759292

Frequently Asked Questions

What is the IUPAC name of bis(4-hexylphenyl)tin?
The IUPAC name of bis(4-hexylphenyl)tin (CID 177496129) is bis(4-hexylphenyl)tin.
What is the SMILES notation for bis(4-hexylphenyl)tin?
The canonical SMILES for bis(4-hexylphenyl)tin is CCCCCCc1ccc([Sn]c2ccc(CCCCCC)cc2)cc1.
What is the InChIKey of bis(4-hexylphenyl)tin?
The InChIKey is FAODJBPDZRSLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17.Sn/c2*1-2-3-4-6-9-12-10-7-5-8-11-12;/h2*7-8,10-11H,2-4,6,9H2,1H3;.
What are the key properties of bis(4-hexylphenyl)tin?
bis(4-hexylphenyl)tin has a molecular weight of 441.25 g/mol, XLogP of 5.59, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hexylphenyl)tin is sourced from PubChem (CID 177496129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).