2-Propenoic acid,2-methyl-, aluminum salt (3:1)

C4H6AlO2 — CID 87069865

IUPAC—
SMILESC=C(C)C(=O)O.[Al]
InChIInChI=1S/C4H6O2.Al/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);
InChIKeyLMBOHXAIPQTDHW-UHFFFAOYSA-N
MW113.07 g/mol
LogP0.27
Rot. Bonds1

About 2-Propenoic acid,2-methyl-, aluminum salt (3:1)

2-Propenoic acid,2-methyl-, aluminum salt (3:1) (PubChem CID 87069865) has the molecular formula C4H6AlO2 and a molecular weight of 113.07 g/mol.

Molecular Properties

Compound Name2-Propenoic acid,2-methyl-, aluminum salt (3:1)
PubChem CID87069865
Molecular FormulaC4H6AlO2
Molecular Weight113.07 g/mol
Exact Mass113.02
IUPAC Name—
SMILESC=C(C)C(=O)O.[Al]
InChIInChI=1S/C4H6O2.Al/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);
InChIKeyLMBOHXAIPQTDHW-UHFFFAOYSA-N
XLogP0.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.07
LogP ≤ 50.27
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

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
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 2-Propenoic acid,2-methyl-, aluminum salt (3:1)?
The IUPAC name of 2-Propenoic acid,2-methyl-, aluminum salt (3:1) (CID 87069865) is not available.
What is the SMILES notation for 2-Propenoic acid,2-methyl-, aluminum salt (3:1)?
The canonical SMILES for 2-Propenoic acid,2-methyl-, aluminum salt (3:1) is C=C(C)C(=O)O.[Al].
What is the InChIKey of 2-Propenoic acid,2-methyl-, aluminum salt (3:1)?
The InChIKey is LMBOHXAIPQTDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.Al/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);.
What are the key properties of 2-Propenoic acid,2-methyl-, aluminum salt (3:1)?
2-Propenoic acid,2-methyl-, aluminum salt (3:1) has a molecular weight of 113.07 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Propenoic acid,2-methyl-, aluminum salt (3:1) is sourced from PubChem (CID 87069865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).