magnesium bis(ethyl 2-methylprop-2-enoate)

C12H18MgO4 — CID 174920026

IUPACmagnesium bis(ethyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OC[CH2-].C=C(C)C(=O)OC[CH2-].[Mg+2]
InChIInChI=1S/2C6H9O2.Mg/c2*1-4-8-6(7)5(2)3;/h2*1-2,4H2,3H3;/q2*-1;+2
InChIKeyDARXXTCHLRFOLW-UHFFFAOYSA-N
MW250.58 g/mol
LogP1.50
Rot. Bonds4

About magnesium bis(ethyl 2-methylprop-2-enoate)

magnesium bis(ethyl 2-methylprop-2-enoate) (PubChem CID 174920026) has the molecular formula C12H18MgO4 and a molecular weight of 250.58 g/mol. Its IUPAC name is magnesium bis(ethyl 2-methylprop-2-enoate).

Molecular Properties

Compound Namemagnesium bis(ethyl 2-methylprop-2-enoate)
PubChem CID174920026
Molecular FormulaC12H18MgO4
Molecular Weight250.58 g/mol
Exact Mass250.11
IUPAC Namemagnesium bis(ethyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OC[CH2-].C=C(C)C(=O)OC[CH2-].[Mg+2]
InChIInChI=1S/2C6H9O2.Mg/c2*1-4-8-6(7)5(2)3;/h2*1-2,4H2,3H3;/q2*-1;+2
InChIKeyDARXXTCHLRFOLW-UHFFFAOYSA-N
XLogP1.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.58
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium propyl 2-methylprop-2-enoate
CID 140760995
propane;propyl 2-methylprop-2-enoate;yttrium
CID 158346337
ethyl 2-methylprop-2-enoate
CID 130475774
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
methanolate;tris(propyl 2-methylprop-2-enoate);zirconium(4+)
CID 175530971
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
sodium ethyl 2-methylprop-2-enoate
CID 23346885
azane;hydroxymethyl 2-methylprop-2-enoate
CID 172791973
ethyl 2-methylprop-2-enoate;methane
CID 159235789
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382

Frequently Asked Questions

What is the IUPAC name of magnesium bis(ethyl 2-methylprop-2-enoate)?
The IUPAC name of magnesium bis(ethyl 2-methylprop-2-enoate) (CID 174920026) is magnesium bis(ethyl 2-methylprop-2-enoate).
What is the SMILES notation for magnesium bis(ethyl 2-methylprop-2-enoate)?
The canonical SMILES for magnesium bis(ethyl 2-methylprop-2-enoate) is C=C(C)C(=O)OC[CH2-].C=C(C)C(=O)OC[CH2-].[Mg+2].
What is the InChIKey of magnesium bis(ethyl 2-methylprop-2-enoate)?
The InChIKey is DARXXTCHLRFOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9O2.Mg/c2*1-4-8-6(7)5(2)3;/h2*1-2,4H2,3H3;/q2*-1;+2.
What are the key properties of magnesium bis(ethyl 2-methylprop-2-enoate)?
magnesium bis(ethyl 2-methylprop-2-enoate) has a molecular weight of 250.58 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(ethyl 2-methylprop-2-enoate) is sourced from PubChem (CID 174920026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).