dibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate

C13H23O4Sn+ — CID 20838600

IUPACdibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate
SMILESCCCC[Sn+2]CCCC.COC(=O)/C=C\C(=O)[O-]
InChIInChI=1S/C5H6O4.2C4H9.Sn/c1-9-5(8)3-2-4(6)7;2*1-3-4-2;/h2-3H,1H3,(H,6,7);2*1,3-4H2,2H3;/q;;;+2/p-1/b3-2-;;;
InChIKeyLISHDYKIYRAAQO-GDNGEXCGSA-M
MW362.03 g/mol
LogP1.59
Rot. Bonds8

About dibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate

dibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate (PubChem CID 20838600) has the molecular formula C13H23O4Sn+ and a molecular weight of 362.03 g/mol. Its IUPAC name is dibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate.

Molecular Properties

Compound Namedibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate
PubChem CID20838600
Molecular FormulaC13H23O4Sn+
Molecular Weight362.03 g/mol
Exact Mass363.06
IUPAC Namedibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate
SMILESCCCC[Sn+2]CCCC.COC(=O)/C=C\C(=O)[O-]
InChIInChI=1S/C5H6O4.2C4H9.Sn/c1-9-5(8)3-2-4(6)7;2*1-3-4-2;/h2-3H,1H3,(H,6,7);2*1,3-4H2,2H3;/q;;;+2/p-1/b3-2-;;;
InChIKeyLISHDYKIYRAAQO-GDNGEXCGSA-M
XLogP1.59
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.03
LogP ≤ 51.59
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

bis((Z)-4-butoxy-4-oxobut-2-enoate);dibutyltin(2+)
CID 87061345
dibutyltin(2+);bis(4-oxo-4-tridecoxybut-2-enoate)
CID 173229440
dibutyltin(2+);bis((E)-4-octoxy-4-oxobut-2-enoate)
CID 22930302
(Z)-but-2-enedioate;dibutyltin(2+);3,4-dimethylhexane
CID 87234005
dibutyltin(2+);bis((Z)-4-(4-methylphenoxy)-4-oxobut-2-enoate)
CID 70430501
CID 170847639
CID 170847639
butyltin(3+);tris((Z)-4-ethoxy-4-oxobut-2-enoate)
CID 173433002
dibutyltin(2+);4-dodecoxy-4-oxobut-2-enoate;4-oxo-4-phenylmethoxybut-2-enoate
CID 70523715
dibutyltin(2+);bis(3-oxobutanoate)
CID 22571283
dibutyltin(2+);bis(3,3-diethoxyprop-2-enoate)
CID 159399728
cadmium(2+);bis((Z)-4-decoxy-4-oxobut-2-enoate)
CID 101277104
potassium 4-hexadecoxy-4-oxobut-2-enoate
CID 74085078

Frequently Asked Questions

What is the IUPAC name of dibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate?
The IUPAC name of dibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate (CID 20838600) is dibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate.
What is the SMILES notation for dibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate?
The canonical SMILES for dibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate is CCCC[Sn+2]CCCC.COC(=O)/C=C\C(=O)[O-].
What is the InChIKey of dibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate?
The InChIKey is LISHDYKIYRAAQO-GDNGEXCGSA-M. The full InChI is InChI=1S/C5H6O4.2C4H9.Sn/c1-9-5(8)3-2-4(6)7;2*1-3-4-2;/h2-3H,1H3,(H,6,7);2*1,3-4H2,2H3;/q;;;+2/p-1/b3-2-;;;.
What are the key properties of dibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate?
dibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate has a molecular weight of 362.03 g/mol, XLogP of 1.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin(2+);(Z)-4-methoxy-4-oxobut-2-enoate is sourced from PubChem (CID 20838600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).