dibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol

C21H37NO2Sn — CID 11503354

IUPACdibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol
SMILESCCCC[Sn]CCCC.Cc1ccc(O)c(NC2CCCCC2O)c1
InChIInChI=1S/C13H19NO2.2C4H9.Sn/c1-9-6-7-13(16)11(8-9)14-10-4-2-3-5-12(10)15;2*1-3-4-2;/h6-8,10,12,14-16H,2-5H2,1H3;2*1,3-4H2,2H3;
InChIKeyMJZQFQUZDIOZCN-UHFFFAOYSA-N
MW454.24 g/mol
LogP5.54
Rot. Bonds8

About dibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol

dibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol (PubChem CID 11503354) has the molecular formula C21H37NO2Sn and a molecular weight of 454.24 g/mol. Its IUPAC name is dibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol.

Molecular Properties

Compound Namedibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol
PubChem CID11503354
Molecular FormulaC21H37NO2Sn
Molecular Weight454.24 g/mol
Exact Mass455.18
IUPAC Namedibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol
SMILESCCCC[Sn]CCCC.Cc1ccc(O)c(NC2CCCCC2O)c1
InChIInChI=1S/C13H19NO2.2C4H9.Sn/c1-9-6-7-13(16)11(8-9)14-10-4-2-3-5-12(10)15;2*1-3-4-2;/h6-8,10,12,14-16H,2-5H2,1H3;2*1,3-4H2,2H3;
InChIKeyMJZQFQUZDIOZCN-UHFFFAOYSA-N
XLogP5.54
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.24
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol?
The IUPAC name of dibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol (CID 11503354) is dibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol.
What is the SMILES notation for dibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol?
The canonical SMILES for dibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol is CCCC[Sn]CCCC.Cc1ccc(O)c(NC2CCCCC2O)c1.
What is the InChIKey of dibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol?
The InChIKey is MJZQFQUZDIOZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.2C4H9.Sn/c1-9-6-7-13(16)11(8-9)14-10-4-2-3-5-12(10)15;2*1-3-4-2;/h6-8,10,12,14-16H,2-5H2,1H3;2*1,3-4H2,2H3;.
What are the key properties of dibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol?
dibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol has a molecular weight of 454.24 g/mol, XLogP of 5.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;2-[(2-hydroxycyclohexyl)amino]-4-methylphenol is sourced from PubChem (CID 11503354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).