cobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal)

C8H12CoO4 — CID 134980870

IUPACcobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal)
SMILESC/C(C=O)=C/O.C/C(C=O)=C/O.[Co]
InChIInChI=1S/2C4H6O2.Co/c2*1-4(2-5)3-6;/h2*2-3,5H,1H3;/b2*4-2-;
InChIKeyFSYXXPJETRUHHR-BGHCZBHZSA-N
MW231.11 g/mol
LogP1.29
Rot. Bonds2

About cobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal)

cobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal) (PubChem CID 134980870) has the molecular formula C8H12CoO4 and a molecular weight of 231.11 g/mol. Its IUPAC name is cobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal).

Molecular Properties

Compound Namecobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal)
PubChem CID134980870
Molecular FormulaC8H12CoO4
Molecular Weight231.11 g/mol
Exact Mass231.01
IUPAC Namecobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal)
SMILESC/C(C=O)=C/O.C/C(C=O)=C/O.[Co]
InChIInChI=1S/2C4H6O2.Co/c2*1-4(2-5)3-6;/h2*2-3,5H,1H3;/b2*4-2-;
InChIKeyFSYXXPJETRUHHR-BGHCZBHZSA-N
XLogP1.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-methylprop-2-enal
CID 3036625
(2E,4E,6E)-2,7-di((113C)methyl)(1,2,3,4,5,6,7,8-13C8)octa-2,4,6-trienedial
CID 10975976
(2Z,4E,6Z)-2,7-dimethylocta-2,4,6-trienedial
CID 22096555
(2E,4E,6Z)-2,7-dimethylocta-2,4,6-trienedial;(2Z,4E,6Z)-2,7-dimethylocta-2,4,6-trienedial
CID 158860721
(E)-3-bromo-2-methylprop-2-enal
CID 11008075
2-methylbut-2-enal;phosphoric acid
CID 173156257
2-methyl-3-nitrosoprop-2-enal
CID 57190877
(6Z)-7-hydroxy-4,6-dimethylhepta-2,4,6-trienal
CID 59954083
(E)-3-amino-2-methylprop-2-enal;propane
CID 142388236
2-methyl-4-(3-methyl-4-oxobut-2-enyl)sulfanylbut-2-enal
CID 57077707
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial
CID 102290425
cobalt;formic acid;hydrate
CID 175469844

Frequently Asked Questions

What is the IUPAC name of cobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal)?
The IUPAC name of cobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal) (CID 134980870) is cobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal).
What is the SMILES notation for cobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal)?
The canonical SMILES for cobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal) is C/C(C=O)=C/O.C/C(C=O)=C/O.[Co].
What is the InChIKey of cobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal)?
The InChIKey is FSYXXPJETRUHHR-BGHCZBHZSA-N. The full InChI is InChI=1S/2C4H6O2.Co/c2*1-4(2-5)3-6;/h2*2-3,5H,1H3;/b2*4-2-;.
What are the key properties of cobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal)?
cobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal) has a molecular weight of 231.11 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis((Z)-3-hydroxy-2-methylprop-2-enal) is sourced from PubChem (CID 134980870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).