diethyl (Z)-2-trimethylplumbylbut-2-enedioate

C11H20O4Pb — CID 134979278

IUPACdiethyl (Z)-2-trimethylplumbylbut-2-enedioate
SMILESCCOC(=O)/C=C(/C(=O)OCC)[Pb](C)(C)C
InChIInChI=1S/C8H11O4.3CH3.Pb/c1-3-11-7(9)5-6-8(10)12-4-2;;;;/h5H,3-4H2,1-2H3;3*1H3;
InChIKeyREAOVGZIXIPYFS-UHFFFAOYSA-N
MW423.48 g/mol
LogP1.92
Rot. Bonds5

About diethyl (Z)-2-trimethylplumbylbut-2-enedioate

diethyl (Z)-2-trimethylplumbylbut-2-enedioate (PubChem CID 134979278) has the molecular formula C11H20O4Pb and a molecular weight of 423.48 g/mol. Its IUPAC name is diethyl (Z)-2-trimethylplumbylbut-2-enedioate.

Molecular Properties

Compound Namediethyl (Z)-2-trimethylplumbylbut-2-enedioate
PubChem CID134979278
Molecular FormulaC11H20O4Pb
Molecular Weight423.48 g/mol
Exact Mass424.11
IUPAC Namediethyl (Z)-2-trimethylplumbylbut-2-enedioate
SMILESCCOC(=O)/C=C(/C(=O)OCC)[Pb](C)(C)C
InChIInChI=1S/C8H11O4.3CH3.Pb/c1-3-11-7(9)5-6-8(10)12-4-2;;;;/h5H,3-4H2,1-2H3;3*1H3;
InChIKeyREAOVGZIXIPYFS-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl (Z)-2-trimethylplumbylbut-2-enedioate?
The IUPAC name of diethyl (Z)-2-trimethylplumbylbut-2-enedioate (CID 134979278) is diethyl (Z)-2-trimethylplumbylbut-2-enedioate.
What is the SMILES notation for diethyl (Z)-2-trimethylplumbylbut-2-enedioate?
The canonical SMILES for diethyl (Z)-2-trimethylplumbylbut-2-enedioate is CCOC(=O)/C=C(/C(=O)OCC)[Pb](C)(C)C.
What is the InChIKey of diethyl (Z)-2-trimethylplumbylbut-2-enedioate?
The InChIKey is REAOVGZIXIPYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O4.3CH3.Pb/c1-3-11-7(9)5-6-8(10)12-4-2;;;;/h5H,3-4H2,1-2H3;3*1H3;.
What are the key properties of diethyl (Z)-2-trimethylplumbylbut-2-enedioate?
diethyl (Z)-2-trimethylplumbylbut-2-enedioate has a molecular weight of 423.48 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (Z)-2-trimethylplumbylbut-2-enedioate is sourced from PubChem (CID 134979278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).