diethyl 2-methylidenepropanedioate;mercury

C8H12HgO4 — CID 174815236

IUPACdiethyl 2-methylidenepropanedioate;mercury
SMILESC=C(C(=O)OCC)C(=O)OCC.[Hg]
InChIInChI=1S/C8H12O4.Hg/c1-4-11-7(9)6(3)8(10)12-5-2;/h3-5H2,1-2H3;
InChIKeyDAEJBVCLRNKFAS-UHFFFAOYSA-N
MW372.77 g/mol
LogP0.67
Rot. Bonds4

About diethyl 2-methylidenepropanedioate;mercury

diethyl 2-methylidenepropanedioate;mercury (PubChem CID 174815236) has the molecular formula C8H12HgO4 and a molecular weight of 372.77 g/mol. Its IUPAC name is diethyl 2-methylidenepropanedioate;mercury.

Molecular Properties

Compound Namediethyl 2-methylidenepropanedioate;mercury
PubChem CID174815236
Molecular FormulaC8H12HgO4
Molecular Weight372.77 g/mol
Exact Mass374.04
IUPAC Namediethyl 2-methylidenepropanedioate;mercury
SMILESC=C(C(=O)OCC)C(=O)OCC.[Hg]
InChIInChI=1S/C8H12O4.Hg/c1-4-11-7(9)6(3)8(10)12-5-2;/h3-5H2,1-2H3;
InChIKeyDAEJBVCLRNKFAS-UHFFFAOYSA-N
XLogP0.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

3-O-[3-(2-ethoxycarbonylprop-2-enoyloxy)-2-methylpropyl] 1-O-ethyl 2-methylidenepropanedioate
CID 155375651
1-O-(dimethylamino) 3-O-ethyl 2-methylidenepropanedioate
CID 175060878
ethyl 2-(hydrazinecarbonyl)prop-2-enoate
CID 87480651
ethyl 2-[fluoro(dimethyl)silyl]prop-2-enoate
CID 19876462
ethyl 2-methylprop-2-enoate
CID 130475774
(2E)-4-ethoxycarbonyl-2,3-dimethylpenta-2,4-dienoic acid
CID 142694353
ethyl 2-butan-2-ylperoxycarbonylprop-2-enoate
CID 118588384
chlorobenzene;diethyl 2-methylidenepropanedioate
CID 174760739
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;methane
CID 159235789

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methylidenepropanedioate;mercury?
The IUPAC name of diethyl 2-methylidenepropanedioate;mercury (CID 174815236) is diethyl 2-methylidenepropanedioate;mercury.
What is the SMILES notation for diethyl 2-methylidenepropanedioate;mercury?
The canonical SMILES for diethyl 2-methylidenepropanedioate;mercury is C=C(C(=O)OCC)C(=O)OCC.[Hg].
What is the InChIKey of diethyl 2-methylidenepropanedioate;mercury?
The InChIKey is DAEJBVCLRNKFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4.Hg/c1-4-11-7(9)6(3)8(10)12-5-2;/h3-5H2,1-2H3;.
What are the key properties of diethyl 2-methylidenepropanedioate;mercury?
diethyl 2-methylidenepropanedioate;mercury has a molecular weight of 372.77 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methylidenepropanedioate;mercury is sourced from PubChem (CID 174815236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).