dibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid)

C22H32N2O8Sn — CID 11169074

IUPACdibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid)
SMILESCCCC[Sn]CCCC.O=C(O)CCN1C(=O)C=CC1=O.O=C(O)CCN1C(=O)C=CC1=O
InChIInChI=1S/2C7H7NO4.2C4H9.Sn/c2*9-5-1-2-6(10)8(5)4-3-7(11)12;2*1-3-4-2;/h2*1-2H,3-4H2,(H,11,12);2*1,3-4H2,2H3;
InChIKeyGUIPCSVONGZAOQ-UHFFFAOYSA-N
MW571.22 g/mol
LogP1.90
Rot. Bonds12

About dibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid)

dibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid) (PubChem CID 11169074) has the molecular formula C22H32N2O8Sn and a molecular weight of 571.22 g/mol. Its IUPAC name is dibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid).

Molecular Properties

Compound Namedibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid)
PubChem CID11169074
Molecular FormulaC22H32N2O8Sn
Molecular Weight571.22 g/mol
Exact Mass572.12
IUPAC Namedibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid)
SMILESCCCC[Sn]CCCC.O=C(O)CCN1C(=O)C=CC1=O.O=C(O)CCN1C(=O)C=CC1=O
InChIInChI=1S/2C7H7NO4.2C4H9.Sn/c2*9-5-1-2-6(10)8(5)4-3-7(11)12;2*1-3-4-2;/h2*1-2H,3-4H2,(H,11,12);2*1,3-4H2,2H3;
InChIKeyGUIPCSVONGZAOQ-UHFFFAOYSA-N
XLogP1.90
TPSA149.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.22
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrol-1-yl)propanoic acid;propanoic acid
CID 159459878
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
dibutyltin;tetrakis(dodecanoic acid)
CID 173333361
1-butylpyrrole-2,5-dione;silane
CID 160820729
dibutyltin;2-hydroxyacetic acid
CID 87134972
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butanoic acid
CID 146519750
dipropyltin;dodecanoic acid
CID 157111444
acetic acid;bis(dibutyltin);hydrate
CID 173025029
1-[4-oxo-4-(4-pentylpiperazin-1-yl)butyl]pyrrole-2,5-dione
CID 170127694
3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]propanoic acid
CID 90457244
butane-1,4-diol;dibutyltin;dodecanoic acid
CID 174920142

Frequently Asked Questions

What is the IUPAC name of dibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid)?
The IUPAC name of dibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid) (CID 11169074) is dibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid).
What is the SMILES notation for dibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid)?
The canonical SMILES for dibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid) is CCCC[Sn]CCCC.O=C(O)CCN1C(=O)C=CC1=O.O=C(O)CCN1C(=O)C=CC1=O.
What is the InChIKey of dibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid)?
The InChIKey is GUIPCSVONGZAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7NO4.2C4H9.Sn/c2*9-5-1-2-6(10)8(5)4-3-7(11)12;2*1-3-4-2;/h2*1-2H,3-4H2,(H,11,12);2*1,3-4H2,2H3;.
What are the key properties of dibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid)?
dibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid) has a molecular weight of 571.22 g/mol, XLogP of 1.90, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;bis(3-(2,5-dioxopyrrol-1-yl)propanoic acid) is sourced from PubChem (CID 11169074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).