cobalt(3+);tris((Z)-5-oxohept-3-en-3-olate)

C21H33CoO6 — CID 5483737

IUPACcobalt(3+);tris((Z)-5-oxohept-3-en-3-olate)
SMILESCCC(=O)/C=C(\[O-])CC.CCC(=O)/C=C(\[O-])CC.CCC(=O)/C=C(\[O-])CC.[Co+3]
InChIInChI=1S/3C7H12O2.Co/c3*1-3-6(8)5-7(9)4-2;/h3*5,8H,3-4H2,1-2H3;/q;;;+3/p-3/b3*6-5-;
InChIKeyFBBFPHLYGHXIFI-YFTRRBBBSA-K
MW440.42 g/mol
LogP1.86
Rot. Bonds9

About cobalt(3+);tris((Z)-5-oxohept-3-en-3-olate)

cobalt(3+);tris((Z)-5-oxohept-3-en-3-olate) (PubChem CID 5483737) has the molecular formula C21H33CoO6 and a molecular weight of 440.42 g/mol. Its IUPAC name is cobalt(3+);tris((Z)-5-oxohept-3-en-3-olate).

Molecular Properties

Compound Namecobalt(3+);tris((Z)-5-oxohept-3-en-3-olate)
PubChem CID5483737
Molecular FormulaC21H33CoO6
Molecular Weight440.42 g/mol
Exact Mass440.16
IUPAC Namecobalt(3+);tris((Z)-5-oxohept-3-en-3-olate)
SMILESCCC(=O)/C=C(\[O-])CC.CCC(=O)/C=C(\[O-])CC.CCC(=O)/C=C(\[O-])CC.[Co+3]
InChIInChI=1S/3C7H12O2.Co/c3*1-3-6(8)5-7(9)4-2;/h3*5,8H,3-4H2,1-2H3;/q;;;+3/p-3/b3*6-5-;
InChIKeyFBBFPHLYGHXIFI-YFTRRBBBSA-K
XLogP1.86
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 51.86
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

(Z)-5-hydroxyhept-4-en-3-one
CID 6912872
propanoate;hydrate
CID 19032208
propanoate;tin(4+)
CID 167712674
propanoate;uranium(4+)
CID 51035197
propanoate;rubidium(1+)
CID 23716263
CID 57352970
CID 57352970
copper(1+);propanoate
CID 22149607
europium(2+);propanoate
CID 88778777
indium(1+);propanoate
CID 101213769
trisodium;propanoate
CID 86625665
dipotassium;(Z)-5-oxido-3-oxooct-4-enoate
CID 102152925
(Z)-5-aminohept-4-en-3-one;(Z)-but-2-ene
CID 178015163

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);tris((Z)-5-oxohept-3-en-3-olate)?
The IUPAC name of cobalt(3+);tris((Z)-5-oxohept-3-en-3-olate) (CID 5483737) is cobalt(3+);tris((Z)-5-oxohept-3-en-3-olate).
What is the SMILES notation for cobalt(3+);tris((Z)-5-oxohept-3-en-3-olate)?
The canonical SMILES for cobalt(3+);tris((Z)-5-oxohept-3-en-3-olate) is CCC(=O)/C=C(\[O-])CC.CCC(=O)/C=C(\[O-])CC.CCC(=O)/C=C(\[O-])CC.[Co+3].
What is the InChIKey of cobalt(3+);tris((Z)-5-oxohept-3-en-3-olate)?
The InChIKey is FBBFPHLYGHXIFI-YFTRRBBBSA-K. The full InChI is InChI=1S/3C7H12O2.Co/c3*1-3-6(8)5-7(9)4-2;/h3*5,8H,3-4H2,1-2H3;/q;;;+3/p-3/b3*6-5-;.
What are the key properties of cobalt(3+);tris((Z)-5-oxohept-3-en-3-olate)?
cobalt(3+);tris((Z)-5-oxohept-3-en-3-olate) has a molecular weight of 440.42 g/mol, XLogP of 1.86, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);tris((Z)-5-oxohept-3-en-3-olate) is sourced from PubChem (CID 5483737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).