dibutyltin;furan-2,5-dione

C12H20O3Sn — CID 161399584

IUPACdibutyltin;furan-2,5-dione
SMILESCCCC[Sn]CCCC.O=C1C=CC(=O)O1
InChIInChI=1S/C4H2O3.2C4H9.Sn/c5-3-1-2-4(6)7-3;2*1-3-4-2;/h1-2H;2*1,3-4H2,2H3;
InChIKeyVUBDAXYSEGMYFR-UHFFFAOYSA-N
MW331.00 g/mol
LogP2.75
Rot. Bonds6

About dibutyltin;furan-2,5-dione

dibutyltin;furan-2,5-dione (PubChem CID 161399584) has the molecular formula C12H20O3Sn and a molecular weight of 331.00 g/mol. Its IUPAC name is dibutyltin;furan-2,5-dione.

Molecular Properties

Compound Namedibutyltin;furan-2,5-dione
PubChem CID161399584
Molecular FormulaC12H20O3Sn
Molecular Weight331.00 g/mol
Exact Mass332.04
IUPAC Namedibutyltin;furan-2,5-dione
SMILESCCCC[Sn]CCCC.O=C1C=CC(=O)O1
InChIInChI=1S/C4H2O3.2C4H9.Sn/c5-3-1-2-4(6)7-3;2*1-3-4-2;/h1-2H;2*1,3-4H2,2H3;
InChIKeyVUBDAXYSEGMYFR-UHFFFAOYSA-N
XLogP2.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.00
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

furan-2,5-dione;hexadecan-1-amine
CID 118418755
dibutyltin
CID 6484
dibutyltin;λ2-stannane
CID 174939385
dibutyltin;methane
CID 158142869
furan-2,5-dione;N-propylpropan-1-amine
CID 159497181
furan-2,5-dione;oct-1-ene
CID 86738184
furan-2,5-dione;hexadec-1-ene
CID 87102971
ethane-1,2-diol;furan-2,5-dione;octadecan-1-amine
CID 174655132
acetic acid;bis(dibutyltin);hydrate
CID 173025029
(5E)-5-pentylidenefuran-2-one
CID 12716501
1-ethenoxyoctadecane;furan-2,5-dione
CID 86676835
didodecyltin;dihydrate
CID 87238842

Frequently Asked Questions

What is the IUPAC name of dibutyltin;furan-2,5-dione?
The IUPAC name of dibutyltin;furan-2,5-dione (CID 161399584) is dibutyltin;furan-2,5-dione.
What is the SMILES notation for dibutyltin;furan-2,5-dione?
The canonical SMILES for dibutyltin;furan-2,5-dione is CCCC[Sn]CCCC.O=C1C=CC(=O)O1.
What is the InChIKey of dibutyltin;furan-2,5-dione?
The InChIKey is VUBDAXYSEGMYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2O3.2C4H9.Sn/c5-3-1-2-4(6)7-3;2*1-3-4-2;/h1-2H;2*1,3-4H2,2H3;.
What are the key properties of dibutyltin;furan-2,5-dione?
dibutyltin;furan-2,5-dione has a molecular weight of 331.00 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;furan-2,5-dione is sourced from PubChem (CID 161399584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).