2-methylprop-2-enoic acid;zirconium

C4H6O2Zr — CID 87064151

IUPAC2-methylprop-2-enoic acid;zirconium
SMILESC=C(C)C(=O)O.[Zr]
InChIInChI=1S/C4H6O2.Zr/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);
InChIKeyHEACGLNJHDPMNR-UHFFFAOYSA-N
MW177.31 g/mol
LogP0.64
Rot. Bonds1

About 2-methylprop-2-enoic acid;zirconium

2-methylprop-2-enoic acid;zirconium (PubChem CID 87064151) has the molecular formula C4H6O2Zr and a molecular weight of 177.31 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;zirconium.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;zirconium
PubChem CID87064151
Molecular FormulaC4H6O2Zr
Molecular Weight177.31 g/mol
Exact Mass175.94
IUPAC Name2-methylprop-2-enoic acid;zirconium
SMILESC=C(C)C(=O)O.[Zr]
InChIInChI=1S/C4H6O2.Zr/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);
InChIKeyHEACGLNJHDPMNR-UHFFFAOYSA-N
XLogP0.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methacrylic Acid
CID 4093
Zinc, hydroxy(2-methyl-2-propenoato-kappaO)-
CID 113239
Volan
CID 155926059
Ethene;2-methylprop-2-enoic acid
CID 168263
Acrylic acid methacrylic acid
CID 11600707
(E)-3-Fluoro-2-methylacrylic acid
CID 13756991
Azane;2-methylprop-2-enoic acid
CID 13981644
Fluoromethylacrylic acid
CID 18790387
CID 87070575
CID 87070575
2-Methylprop-2-enoic acid;nickel
CID 87136056
2-Methyl-2-propenoic acid iron salt
CID 87139916
Copper;2-methylprop-2-enoic acid
CID 87172232

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;zirconium?
The IUPAC name of 2-methylprop-2-enoic acid;zirconium (CID 87064151) is 2-methylprop-2-enoic acid;zirconium.
What is the SMILES notation for 2-methylprop-2-enoic acid;zirconium?
The canonical SMILES for 2-methylprop-2-enoic acid;zirconium is C=C(C)C(=O)O.[Zr].
What is the InChIKey of 2-methylprop-2-enoic acid;zirconium?
The InChIKey is HEACGLNJHDPMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.Zr/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);.
What are the key properties of 2-methylprop-2-enoic acid;zirconium?
2-methylprop-2-enoic acid;zirconium has a molecular weight of 177.31 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;zirconium is sourced from PubChem (CID 87064151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).