indium(3+);tris(4-oxopent-2-en-2-olate)

C15H21InO6 — CID 26667

IUPACindium(3+);tris(4-oxopent-2-en-2-olate)
SMILESCC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].[In+3]
InChIInChI=1S/3C5H8O2.In/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
InChIKeySKWCWFYBFZIXHE-UHFFFAOYSA-K
MW412.15 g/mol
LogP-0.86
Rot. Bonds3

About indium(3+);tris(4-oxopent-2-en-2-olate)

indium(3+);tris(4-oxopent-2-en-2-olate) (PubChem CID 26667) has the molecular formula C15H21InO6 and a molecular weight of 412.15 g/mol. Its IUPAC name is indium(3+);tris(4-oxopent-2-en-2-olate).

Molecular Properties

Compound Nameindium(3+);tris(4-oxopent-2-en-2-olate)
PubChem CID26667
Molecular FormulaC15H21InO6
Molecular Weight412.15 g/mol
Exact Mass412.04
IUPAC Nameindium(3+);tris(4-oxopent-2-en-2-olate)
SMILESCC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].[In+3]
InChIInChI=1S/3C5H8O2.In/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3
InChIKeySKWCWFYBFZIXHE-UHFFFAOYSA-K
XLogP-0.86
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.15
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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aluminum tris((E)-4-oxopent-2-en-2-olate)
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CID 154828612
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gold(1+);(Z)-4-oxopent-2-en-2-olate
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lanthanum(3+);tris((E)-4-oxopent-2-en-2-olate)
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tetrakis(4-oxopent-2-en-2-olate);thorium(4+)
CID 3035394
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CID 6509855

Frequently Asked Questions

What is the IUPAC name of indium(3+);tris(4-oxopent-2-en-2-olate)?
The IUPAC name of indium(3+);tris(4-oxopent-2-en-2-olate) (CID 26667) is indium(3+);tris(4-oxopent-2-en-2-olate).
What is the SMILES notation for indium(3+);tris(4-oxopent-2-en-2-olate)?
The canonical SMILES for indium(3+);tris(4-oxopent-2-en-2-olate) is CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].[In+3].
What is the InChIKey of indium(3+);tris(4-oxopent-2-en-2-olate)?
The InChIKey is SKWCWFYBFZIXHE-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H8O2.In/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3.
What are the key properties of indium(3+);tris(4-oxopent-2-en-2-olate)?
indium(3+);tris(4-oxopent-2-en-2-olate) has a molecular weight of 412.15 g/mol, XLogP of -0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for indium(3+);tris(4-oxopent-2-en-2-olate) is sourced from PubChem (CID 26667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).