tris(2-methylprop-2-enoic acid);zirconium

C12H18O6Zr — CID 175448767

IUPACtris(2-methylprop-2-enoic acid);zirconium
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.[Zr]
InChIInChI=1S/3C4H6O2.Zr/c3*1-3(2)4(5)6;/h3*1H2,2H3,(H,5,6);
InChIKeyNMPMVUDUDVMTPM-UHFFFAOYSA-N
MW349.49 g/mol
LogP1.94
Rot. Bonds3

About tris(2-methylprop-2-enoic acid);zirconium

tris(2-methylprop-2-enoic acid);zirconium (PubChem CID 175448767) has the molecular formula C12H18O6Zr and a molecular weight of 349.49 g/mol. Its IUPAC name is tris(2-methylprop-2-enoic acid);zirconium.

Molecular Properties

Compound Nametris(2-methylprop-2-enoic acid);zirconium
PubChem CID175448767
Molecular FormulaC12H18O6Zr
Molecular Weight349.49 g/mol
Exact Mass348.02
IUPAC Nametris(2-methylprop-2-enoic acid);zirconium
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.[Zr]
InChIInChI=1S/3C4H6O2.Zr/c3*1-3(2)4(5)6;/h3*1H2,2H3,(H,5,6);
InChIKeyNMPMVUDUDVMTPM-UHFFFAOYSA-N
XLogP1.94
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tris(2-methylprop-2-enoic acid);zirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
strontium;hydride;2-methylprop-2-enoic acid
CID 173027566
dilithium;hydride;2-methylprop-2-enoic acid
CID 174560536
acetic acid;cadmium;2-methylprop-2-enoic acid
CID 88716408
chromium;bis(2-methylprop-2-enoic acid);hydrate
CID 165107719
methanol;2-methylprop-2-enoic acid;propan-2-one
CID 174711674

Frequently Asked Questions

What is the IUPAC name of tris(2-methylprop-2-enoic acid);zirconium?
The IUPAC name of tris(2-methylprop-2-enoic acid);zirconium (CID 175448767) is tris(2-methylprop-2-enoic acid);zirconium.
What is the SMILES notation for tris(2-methylprop-2-enoic acid);zirconium?
The canonical SMILES for tris(2-methylprop-2-enoic acid);zirconium is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.[Zr].
What is the InChIKey of tris(2-methylprop-2-enoic acid);zirconium?
The InChIKey is NMPMVUDUDVMTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H6O2.Zr/c3*1-3(2)4(5)6;/h3*1H2,2H3,(H,5,6);.
What are the key properties of tris(2-methylprop-2-enoic acid);zirconium?
tris(2-methylprop-2-enoic acid);zirconium has a molecular weight of 349.49 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylprop-2-enoic acid);zirconium is sourced from PubChem (CID 175448767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).