dibutyltin;diethyl (Z)-but-2-enedioate

C16H30O4Sn — CID 87233994

IUPACdibutyltin;diethyl (Z)-but-2-enedioate
SMILESCCCC[Sn]CCCC.CCOC(=O)/C=C\C(=O)OCC
InChIInChI=1S/C8H12O4.2C4H9.Sn/c1-3-11-7(9)5-6-8(10)12-4-2;2*1-3-4-2;/h5-6H,3-4H2,1-2H3;2*1,3-4H2,2H3;/b6-5-;;;
InChIKeyNVOGEOJJWIEKGO-WTUPQPTJSA-N
MW405.12 g/mol
LogP3.80
Rot. Bonds10

About dibutyltin;diethyl (Z)-but-2-enedioate

dibutyltin;diethyl (Z)-but-2-enedioate (PubChem CID 87233994) has the molecular formula C16H30O4Sn and a molecular weight of 405.12 g/mol. Its IUPAC name is dibutyltin;diethyl (Z)-but-2-enedioate.

Molecular Properties

Compound Namedibutyltin;diethyl (Z)-but-2-enedioate
PubChem CID87233994
Molecular FormulaC16H30O4Sn
Molecular Weight405.12 g/mol
Exact Mass406.12
IUPAC Namedibutyltin;diethyl (Z)-but-2-enedioate
SMILESCCCC[Sn]CCCC.CCOC(=O)/C=C\C(=O)OCC
InChIInChI=1S/C8H12O4.2C4H9.Sn/c1-3-11-7(9)5-6-8(10)12-4-2;2*1-3-4-2;/h5-6H,3-4H2,1-2H3;2*1,3-4H2,2H3;/b6-5-;;;
InChIKeyNVOGEOJJWIEKGO-WTUPQPTJSA-N
XLogP3.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.12
LogP ≤ 53.80
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

diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311
dibutyltin;bis(ethyl hexanoate)
CID 87061264
ethyl (Z)-4-amino-4-oxobut-2-enoate
CID 87434500
diethyl (2E,5E)-4-oxohepta-2,5-dienedioate
CID 10922203
(Z)-but-2-enedioic acid;dibutyltin;hydron
CID 175099515
bis(2-ethylhexyl) but-2-enedioate;dioctyltin
CID 158942844
butyltin(3+);tris((Z)-4-ethoxy-4-oxobut-2-enoate)
CID 173433002
ethyl (2E,4E)-4-methylnona-2,4-dienoate
CID 121007726
4-O-[butyl-bis[(4-ethoxy-4-oxobut-2-enoyl)oxy]stannyl] 1-O-ethyl but-2-enedioate
CID 53428600
diethyl but-2-enedioate;4-ethoxy-4-oxobut-2-enoic acid
CID 158661687
4-ethoxy-4-oxobut-2-eneperoxoic acid
CID 54480920

Frequently Asked Questions

What is the IUPAC name of dibutyltin;diethyl (Z)-but-2-enedioate?
The IUPAC name of dibutyltin;diethyl (Z)-but-2-enedioate (CID 87233994) is dibutyltin;diethyl (Z)-but-2-enedioate.
What is the SMILES notation for dibutyltin;diethyl (Z)-but-2-enedioate?
The canonical SMILES for dibutyltin;diethyl (Z)-but-2-enedioate is CCCC[Sn]CCCC.CCOC(=O)/C=C\C(=O)OCC.
What is the InChIKey of dibutyltin;diethyl (Z)-but-2-enedioate?
The InChIKey is NVOGEOJJWIEKGO-WTUPQPTJSA-N. The full InChI is InChI=1S/C8H12O4.2C4H9.Sn/c1-3-11-7(9)5-6-8(10)12-4-2;2*1-3-4-2;/h5-6H,3-4H2,1-2H3;2*1,3-4H2,2H3;/b6-5-;;;.
What are the key properties of dibutyltin;diethyl (Z)-but-2-enedioate?
dibutyltin;diethyl (Z)-but-2-enedioate has a molecular weight of 405.12 g/mol, XLogP of 3.80, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;diethyl (Z)-but-2-enedioate is sourced from PubChem (CID 87233994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).