aluminum tris((Z)-2,3-diiodoprop-2-enoate)

C9H3AlI6O6 — CID 22604740

IUPACaluminum tris((Z)-2,3-diiodoprop-2-enoate)
SMILESO=C([O-])/C(I)=C/I.O=C([O-])/C(I)=C/I.O=C([O-])/C(I)=C/I.[Al+3]
InChIInChI=1S/3C3H2I2O2.Al/c3*4-1-2(5)3(6)7;/h3*1H,(H,6,7);/q;;;+3/p-3/b3*2-1-;
InChIKeyXIHQPQJOVCNEBM-JVUUZWNBSA-K
MW995.52 g/mol
LogP0.96
Rot. Bonds3

About aluminum tris((Z)-2,3-diiodoprop-2-enoate)

aluminum tris((Z)-2,3-diiodoprop-2-enoate) (PubChem CID 22604740) has the molecular formula C9H3AlI6O6 and a molecular weight of 995.52 g/mol. Its IUPAC name is aluminum tris((Z)-2,3-diiodoprop-2-enoate).

Molecular Properties

Compound Namealuminum tris((Z)-2,3-diiodoprop-2-enoate)
PubChem CID22604740
Molecular FormulaC9H3AlI6O6
Molecular Weight995.52 g/mol
Exact Mass995.40
IUPAC Namealuminum tris((Z)-2,3-diiodoprop-2-enoate)
SMILESO=C([O-])/C(I)=C/I.O=C([O-])/C(I)=C/I.O=C([O-])/C(I)=C/I.[Al+3]
InChIInChI=1S/3C3H2I2O2.Al/c3*4-1-2(5)3(6)7;/h3*1H,(H,6,7);/q;;;+3/p-3/b3*2-1-;
InChIKeyXIHQPQJOVCNEBM-JVUUZWNBSA-K
XLogP0.96
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500995.52
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-diiodoprop-2-enoic acid
CID 54342819
chromium(6+);oxalate
CID 138397959
aluminum;calcium;oxalate
CID 172855033
tetrapotassium;octakis(cadmium(2+));oxalate
CID 173357268
potassium;gadolinium(3+);dicarbonate
CID 15348000
dipotassium;phosphane;carbonate
CID 161306374
dipotassium;disodium;dicarbonate
CID 23505264
oxalate;platinum(2+)
CID 22066175
CID 170839506
CID 170839506
cerium;oxalate
CID 8762
aluminum;zinc;carbonate
CID 162187008
cesium oxalate
CID 53436195

Frequently Asked Questions

What is the IUPAC name of aluminum tris((Z)-2,3-diiodoprop-2-enoate)?
The IUPAC name of aluminum tris((Z)-2,3-diiodoprop-2-enoate) (CID 22604740) is aluminum tris((Z)-2,3-diiodoprop-2-enoate).
What is the SMILES notation for aluminum tris((Z)-2,3-diiodoprop-2-enoate)?
The canonical SMILES for aluminum tris((Z)-2,3-diiodoprop-2-enoate) is O=C([O-])/C(I)=C/I.O=C([O-])/C(I)=C/I.O=C([O-])/C(I)=C/I.[Al+3].
What is the InChIKey of aluminum tris((Z)-2,3-diiodoprop-2-enoate)?
The InChIKey is XIHQPQJOVCNEBM-JVUUZWNBSA-K. The full InChI is InChI=1S/3C3H2I2O2.Al/c3*4-1-2(5)3(6)7;/h3*1H,(H,6,7);/q;;;+3/p-3/b3*2-1-;.
What are the key properties of aluminum tris((Z)-2,3-diiodoprop-2-enoate)?
aluminum tris((Z)-2,3-diiodoprop-2-enoate) has a molecular weight of 995.52 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris((Z)-2,3-diiodoprop-2-enoate) is sourced from PubChem (CID 22604740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).