[dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate

C22H28O8Sn — CID 16707575

IUPAC[dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1cc(O)ccc1O)OC(=O)c1cc(O)ccc1O
InChIInChI=1S/2C7H6O4.2C4H9.Sn/c2*8-4-1-2-6(9)5(3-4)7(10)11;2*1-3-4-2;/h2*1-3,8-9H,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyINTHLNYVBRSRSF-UHFFFAOYSA-L
MW539.17 g/mol
LogP4.57
Rot. Bonds10

About [dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate

[dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate (PubChem CID 16707575) has the molecular formula C22H28O8Sn and a molecular weight of 539.17 g/mol. Its IUPAC name is [dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate.

Molecular Properties

Compound Name[dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate
PubChem CID16707575
Molecular FormulaC22H28O8Sn
Molecular Weight539.17 g/mol
Exact Mass540.08
IUPAC Name[dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1cc(O)ccc1O)OC(=O)c1cc(O)ccc1O
InChIInChI=1S/2C7H6O4.2C4H9.Sn/c2*8-4-1-2-6(9)5(3-4)7(10)11;2*1-3-4-2;/h2*1-3,8-9H,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyINTHLNYVBRSRSF-UHFFFAOYSA-L
XLogP4.57
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.17
LogP ≤ 54.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate?
The IUPAC name of [dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate (CID 16707575) is [dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate.
What is the SMILES notation for [dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate?
The canonical SMILES for [dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate is CCCC[Sn](CCCC)(OC(=O)c1cc(O)ccc1O)OC(=O)c1cc(O)ccc1O.
What is the InChIKey of [dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate?
The InChIKey is INTHLNYVBRSRSF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O4.2C4H9.Sn/c2*8-4-1-2-6(9)5(3-4)7(10)11;2*1-3-4-2;/h2*1-3,8-9H,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate?
[dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate has a molecular weight of 539.17 g/mol, XLogP of 4.57, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl-(2,5-dihydroxybenzoyl)oxystannyl] 2,5-dihydroxybenzoate is sourced from PubChem (CID 16707575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).