dibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid

C19H34O6Sn — CID 173393267

IUPACdibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=CC(=O)O.CCCC[Sn]CCCC
InChIInChI=1S/2C4H6O2.2C4H9.C3H4O2.Sn/c2*1-3(2)4(5)6;2*1-3-4-2;1-2-3(4)5;/h2*1H2,2H3,(H,5,6);2*1,3-4H2,2H3;2H,1H2,(H,4,5);
InChIKeyOIMAXJBUDLGVHO-UHFFFAOYSA-N
MW477.19 g/mol
LogP4.68
Rot. Bonds9

About dibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid

dibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid (PubChem CID 173393267) has the molecular formula C19H34O6Sn and a molecular weight of 477.19 g/mol. Its IUPAC name is dibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid.

Molecular Properties

Compound Namedibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid
PubChem CID173393267
Molecular FormulaC19H34O6Sn
Molecular Weight477.19 g/mol
Exact Mass478.14
IUPAC Namedibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=CC(=O)O.CCCC[Sn]CCCC
InChIInChI=1S/2C4H6O2.2C4H9.C3H4O2.Sn/c2*1-3(2)4(5)6;2*1-3-4-2;1-2-3(4)5;/h2*1H2,2H3,(H,5,6);2*1,3-4H2,2H3;2H,1H2,(H,4,5);
InChIKeyOIMAXJBUDLGVHO-UHFFFAOYSA-N
XLogP4.68
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.19
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid?
The IUPAC name of dibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid (CID 173393267) is dibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid.
What is the SMILES notation for dibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid?
The canonical SMILES for dibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid is C=C(C)C(=O)O.C=C(C)C(=O)O.C=CC(=O)O.CCCC[Sn]CCCC.
What is the InChIKey of dibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid?
The InChIKey is OIMAXJBUDLGVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O2.2C4H9.C3H4O2.Sn/c2*1-3(2)4(5)6;2*1-3-4-2;1-2-3(4)5;/h2*1H2,2H3,(H,5,6);2*1,3-4H2,2H3;2H,1H2,(H,4,5);.
What are the key properties of dibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid?
dibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid has a molecular weight of 477.19 g/mol, XLogP of 4.68, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;bis(2-methylprop-2-enoic acid);prop-2-enoic acid is sourced from PubChem (CID 173393267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).