dibutyltin(2+);bis(2-ethylhex-2-enoate)

C24H44O4Sn — CID 88626421

IUPACdibutyltin(2+);bis(2-ethylhex-2-enoate)
SMILESCCCC=C(CC)C(=O)[O-].CCCC=C(CC)C(=O)[O-].CCCC[Sn+2]CCCC
InChIInChI=1S/2C8H14O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*6H,3-5H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyUMCKXAYDZPFUAZ-UHFFFAOYSA-L
MW515.32 g/mol
LogP4.87
Rot. Bonds14

About dibutyltin(2+);bis(2-ethylhex-2-enoate)

dibutyltin(2+);bis(2-ethylhex-2-enoate) (PubChem CID 88626421) has the molecular formula C24H44O4Sn and a molecular weight of 515.32 g/mol. Its IUPAC name is dibutyltin(2+);bis(2-ethylhex-2-enoate).

Molecular Properties

Compound Namedibutyltin(2+);bis(2-ethylhex-2-enoate)
PubChem CID88626421
Molecular FormulaC24H44O4Sn
Molecular Weight515.32 g/mol
Exact Mass516.23
IUPAC Namedibutyltin(2+);bis(2-ethylhex-2-enoate)
SMILESCCCC=C(CC)C(=O)[O-].CCCC=C(CC)C(=O)[O-].CCCC[Sn+2]CCCC
InChIInChI=1S/2C8H14O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*6H,3-5H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyUMCKXAYDZPFUAZ-UHFFFAOYSA-L
XLogP4.87
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.32
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

dibutyltin(2+);bis(3-oxobutanoate)
CID 22571283
bis(dibutyltin(2+));bis((Z)-2-dodecylbut-2-enedioate)
CID 21466665
dibutyltin(2+);(Z)-2-octylbut-2-enedioate
CID 159527383
dibutyltin(2+);(Z)-2,3-dioctylbut-2-enedioate
CID 22065655
zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate
CID 19794979
(E)-2-ethylhex-2-enamide
CID 87982228
[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
CID 87703227
bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)
CID 160581451
calcium bis((Z)-2-butylhept-2-enoate)
CID 146310962
dibutyltin(2+);bis(2-sulfanylpropanoate)
CID 53471901
dibutyltin(2+);bis(octadec-9-enoate);tin(4+)
CID 159281027
dibutyltin(2+);bis(2-methyl-2-sulfanylhexanoate)
CID 88846994

Frequently Asked Questions

What is the IUPAC name of dibutyltin(2+);bis(2-ethylhex-2-enoate)?
The IUPAC name of dibutyltin(2+);bis(2-ethylhex-2-enoate) (CID 88626421) is dibutyltin(2+);bis(2-ethylhex-2-enoate).
What is the SMILES notation for dibutyltin(2+);bis(2-ethylhex-2-enoate)?
The canonical SMILES for dibutyltin(2+);bis(2-ethylhex-2-enoate) is CCCC=C(CC)C(=O)[O-].CCCC=C(CC)C(=O)[O-].CCCC[Sn+2]CCCC.
What is the InChIKey of dibutyltin(2+);bis(2-ethylhex-2-enoate)?
The InChIKey is UMCKXAYDZPFUAZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H14O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*6H,3-5H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of dibutyltin(2+);bis(2-ethylhex-2-enoate)?
dibutyltin(2+);bis(2-ethylhex-2-enoate) has a molecular weight of 515.32 g/mol, XLogP of 4.87, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin(2+);bis(2-ethylhex-2-enoate) is sourced from PubChem (CID 88626421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).