magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate

C15H12MgO4 — CID 22987477

IUPACmagnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate
SMILESC=C(C)C(=O)[O-].O=C([O-])c1cccc2ccccc12.[Mg+2]
InChIInChI=1S/C11H8O2.C4H6O2.Mg/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-3(2)4(5)6;/h1-7H,(H,12,13);1H2,2H3,(H,5,6);/q;;+2/p-2
InChIKeyLMVMTEWXMUVJBX-UHFFFAOYSA-L
MW280.56 g/mol
LogP0.13
Rot. Bonds2

About magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate

magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate (PubChem CID 22987477) has the molecular formula C15H12MgO4 and a molecular weight of 280.56 g/mol. Its IUPAC name is magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate.

Molecular Properties

Compound Namemagnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate
PubChem CID22987477
Molecular FormulaC15H12MgO4
Molecular Weight280.56 g/mol
Exact Mass280.06
IUPAC Namemagnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate
SMILESC=C(C)C(=O)[O-].O=C([O-])c1cccc2ccccc12.[Mg+2]
InChIInChI=1S/C11H8O2.C4H6O2.Mg/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-3(2)4(5)6;/h1-7H,(H,12,13);1H2,2H3,(H,5,6);/q;;+2/p-2
InChIKeyLMVMTEWXMUVJBX-UHFFFAOYSA-L
XLogP0.13
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.56
LogP ≤ 50.13
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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Related Compounds

naphthalene-1-carboxylate;tris(2-methylpropyl)stannanylium
CID 69050098
2-hydroxyethyl(methyl)azanium;naphthalene-1-carboxylate
CID 159149484
tris(naphthalene-1-carboxylate);octyltin(3+)
CID 159919940
azane;1-prop-1-en-2-ylnaphthalene
CID 122612227
N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide
CID 22320844
dipotassium;naphthalene-1,4-dicarboxylate
CID 101297429
4-methyl-1-naphthalen-1-ylpent-4-en-1-one
CID 114473529
naphthalene-1-carboxylate;tris(naphthalene-1-carboxylic acid);tetraphenylphosphanium
CID 172772010
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
zinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate
CID 22987460
2-iodo-1-naphthalen-1-ylbutane-1,3-dione
CID 165350066
2-methylprop-2-enyl naphthalene-1-carboxylate
CID 22594823

Frequently Asked Questions

What is the IUPAC name of magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate?
The IUPAC name of magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate (CID 22987477) is magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate.
What is the SMILES notation for magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate?
The canonical SMILES for magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate is C=C(C)C(=O)[O-].O=C([O-])c1cccc2ccccc12.[Mg+2].
What is the InChIKey of magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate?
The InChIKey is LMVMTEWXMUVJBX-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H8O2.C4H6O2.Mg/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-3(2)4(5)6;/h1-7H,(H,12,13);1H2,2H3,(H,5,6);/q;;+2/p-2.
What are the key properties of magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate?
magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate has a molecular weight of 280.56 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate is sourced from PubChem (CID 22987477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).