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

C12H18O6Y — CID 121233543

IUPACtris(2-methylprop-2-enoic acid);yttrium
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.[Y]
InChIInChI=1S/3C4H6O2.Y/c3*1-3(2)4(5)6;/h3*1H2,2H3,(H,5,6);
InChIKeyGAXPAUUWDGZZTG-UHFFFAOYSA-N
MW347.18 g/mol
LogP1.94
Rot. Bonds3

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

tris(2-methylprop-2-enoic acid);yttrium (PubChem CID 121233543) has the molecular formula C12H18O6Y and a molecular weight of 347.18 g/mol. Its IUPAC name is tris(2-methylprop-2-enoic acid);yttrium.

Molecular Properties

Compound Nametris(2-methylprop-2-enoic acid);yttrium
PubChem CID121233543
Molecular FormulaC12H18O6Y
Molecular Weight347.18 g/mol
Exact Mass347.02
IUPAC Nametris(2-methylprop-2-enoic acid);yttrium
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.[Y]
InChIInChI=1S/3C4H6O2.Y/c3*1-3(2)4(5)6;/h3*1H2,2H3,(H,5,6);
InChIKeyGAXPAUUWDGZZTG-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 ≤ 500347.18
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
CID 131883821
CID 131883821
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
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
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);yttrium?
The IUPAC name of tris(2-methylprop-2-enoic acid);yttrium (CID 121233543) is tris(2-methylprop-2-enoic acid);yttrium.
What is the SMILES notation for tris(2-methylprop-2-enoic acid);yttrium?
The canonical SMILES for tris(2-methylprop-2-enoic acid);yttrium is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.[Y].
What is the InChIKey of tris(2-methylprop-2-enoic acid);yttrium?
The InChIKey is GAXPAUUWDGZZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H6O2.Y/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);yttrium?
tris(2-methylprop-2-enoic acid);yttrium has a molecular weight of 347.18 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);yttrium is sourced from PubChem (CID 121233543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).