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

C10H18AlClO6 — CID 173359829

IUPACmethylalumane;tris(prop-2-enoic acid);hydrochloride
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C[AlH2].Cl
InChIInChI=1S/3C3H4O2.CH3.Al.ClH.2H/c3*1-2-3(4)5;;;;;/h3*2H,1H2,(H,4,5);1H3;;1H;;
InChIKeyKKYVJIMDWNOQQW-UHFFFAOYSA-N
MW296.68 g/mol
LogP0.86
Rot. Bonds3

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

methylalumane;tris(prop-2-enoic acid);hydrochloride (PubChem CID 173359829) has the molecular formula C10H18AlClO6 and a molecular weight of 296.68 g/mol. Its IUPAC name is methylalumane;tris(prop-2-enoic acid);hydrochloride.

Molecular Properties

Compound Namemethylalumane;tris(prop-2-enoic acid);hydrochloride
PubChem CID173359829
Molecular FormulaC10H18AlClO6
Molecular Weight296.68 g/mol
Exact Mass296.06
IUPAC Namemethylalumane;tris(prop-2-enoic acid);hydrochloride
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C[AlH2].Cl
InChIInChI=1S/3C3H4O2.CH3.Al.ClH.2H/c3*1-2-3(4)5;;;;;/h3*2H,1H2,(H,4,5);1H3;;1H;;
InChIKeyKKYVJIMDWNOQQW-UHFFFAOYSA-N
XLogP0.86
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 50.86
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

prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
calcium;prop-2-enoic acid;dichloride
CID 172857747
methanol;prop-2-enoic acid
CID 159043362
N,N-dimethylmethanamine;prop-2-enoic acid;hydrochloride
CID 87893853
methanethiol;prop-2-enoic acid
CID 158379466
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
lutetium;tris(prop-2-enoic acid)
CID 168865611
Acrylic acid potassium salt
CID 87124626
iron(2+);prop-2-enoic acid
CID 10290804
cerium;bis(prop-2-enoic acid)
CID 169316659
CID 87061462
CID 87061462

Frequently Asked Questions

What is the IUPAC name of methylalumane;tris(prop-2-enoic acid);hydrochloride?
The IUPAC name of methylalumane;tris(prop-2-enoic acid);hydrochloride (CID 173359829) is methylalumane;tris(prop-2-enoic acid);hydrochloride.
What is the SMILES notation for methylalumane;tris(prop-2-enoic acid);hydrochloride?
The canonical SMILES for methylalumane;tris(prop-2-enoic acid);hydrochloride is C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C[AlH2].Cl.
What is the InChIKey of methylalumane;tris(prop-2-enoic acid);hydrochloride?
The InChIKey is KKYVJIMDWNOQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H4O2.CH3.Al.ClH.2H/c3*1-2-3(4)5;;;;;/h3*2H,1H2,(H,4,5);1H3;;1H;;.
What are the key properties of methylalumane;tris(prop-2-enoic acid);hydrochloride?
methylalumane;tris(prop-2-enoic acid);hydrochloride has a molecular weight of 296.68 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylalumane;tris(prop-2-enoic acid);hydrochloride is sourced from PubChem (CID 173359829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).