methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride

C13H24AlClO6 — CID 173193272

IUPACmethylalumane;tris(2-methylprop-2-enoic acid);hydrochloride
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.C[AlH2].Cl
InChIInChI=1S/3C4H6O2.CH3.Al.ClH.2H/c3*1-3(2)4(5)6;;;;;/h3*1H2,2H3,(H,5,6);1H3;;1H;;
InChIKeyZCKRYXGXBNKBRN-UHFFFAOYSA-N
MW338.76 g/mol
LogP2.03
Rot. Bonds3

About methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride

methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride (PubChem CID 173193272) has the molecular formula C13H24AlClO6 and a molecular weight of 338.76 g/mol. Its IUPAC name is methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride.

Molecular Properties

Compound Namemethylalumane;tris(2-methylprop-2-enoic acid);hydrochloride
PubChem CID173193272
Molecular FormulaC13H24AlClO6
Molecular Weight338.76 g/mol
Exact Mass338.11
IUPAC Namemethylalumane;tris(2-methylprop-2-enoic acid);hydrochloride
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.C[AlH2].Cl
InChIInChI=1S/3C4H6O2.CH3.Al.ClH.2H/c3*1-3(2)4(5)6;;;;;/h3*1H2,2H3,(H,5,6);1H3;;1H;;
InChIKeyZCKRYXGXBNKBRN-UHFFFAOYSA-N
XLogP2.03
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 52.03
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
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

Frequently Asked Questions

What is the IUPAC name of methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride?
The IUPAC name of methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride (CID 173193272) is methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride.
What is the SMILES notation for methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride?
The canonical SMILES for methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.C[AlH2].Cl.
What is the InChIKey of methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride?
The InChIKey is ZCKRYXGXBNKBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H6O2.CH3.Al.ClH.2H/c3*1-3(2)4(5)6;;;;;/h3*1H2,2H3,(H,5,6);1H3;;1H;;.
What are the key properties of methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride?
methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride has a molecular weight of 338.76 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride is sourced from PubChem (CID 173193272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).