cobalt;tetrakis(decanoic acid);titanium;tetrahydrate

C40H88Co4O12Ti — CID 91844646

IUPACcobalt;tetrakis(decanoic acid);titanium;tetrahydrate
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.O.O.O.O.[Co].[Co].[Co].[Co].[Ti]
InChIInChI=1S/4C10H20O2.4Co.4H2O.Ti/c4*1-2-3-4-5-6-7-8-9-10(11)12;;;;;;;;;/h4*2-9H2,1H3,(H,11,12);;;;;4*1H2;
InChIKeyRGBJFNCTQYRVPA-UHFFFAOYSA-N
MW1044.73 g/mol
LogP9.54
Rot. Bonds32

About cobalt;tetrakis(decanoic acid);titanium;tetrahydrate

cobalt;tetrakis(decanoic acid);titanium;tetrahydrate (PubChem CID 91844646) has the molecular formula C40H88Co4O12Ti and a molecular weight of 1044.73 g/mol. Its IUPAC name is cobalt;tetrakis(decanoic acid);titanium;tetrahydrate.

Molecular Properties

Compound Namecobalt;tetrakis(decanoic acid);titanium;tetrahydrate
PubChem CID91844646
Molecular FormulaC40H88Co4O12Ti
Molecular Weight1044.73 g/mol
Exact Mass1044.31
IUPAC Namecobalt;tetrakis(decanoic acid);titanium;tetrahydrate
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.O.O.O.O.[Co].[Co].[Co].[Co].[Ti]
InChIInChI=1S/4C10H20O2.4Co.4H2O.Ti/c4*1-2-3-4-5-6-7-8-9-10(11)12;;;;;;;;;/h4*2-9H2,1H3,(H,11,12);;;;;4*1H2;
InChIKeyRGBJFNCTQYRVPA-UHFFFAOYSA-N
XLogP9.54
TPSA275.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001044.73
LogP ≤ 59.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 175440468
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CID 6335315
CID 6335315
CID 6328046
CID 6328046
cobalt;bis(hexadecanoic acid);zinc
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methanol;tris(octanoic acid);titanium
CID 160869796
cobalt;nickel;octanoic acid
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Frequently Asked Questions

What is the IUPAC name of cobalt;tetrakis(decanoic acid);titanium;tetrahydrate?
The IUPAC name of cobalt;tetrakis(decanoic acid);titanium;tetrahydrate (CID 91844646) is cobalt;tetrakis(decanoic acid);titanium;tetrahydrate.
What is the SMILES notation for cobalt;tetrakis(decanoic acid);titanium;tetrahydrate?
The canonical SMILES for cobalt;tetrakis(decanoic acid);titanium;tetrahydrate is CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.O.O.O.O.[Co].[Co].[Co].[Co].[Ti].
What is the InChIKey of cobalt;tetrakis(decanoic acid);titanium;tetrahydrate?
The InChIKey is RGBJFNCTQYRVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H20O2.4Co.4H2O.Ti/c4*1-2-3-4-5-6-7-8-9-10(11)12;;;;;;;;;/h4*2-9H2,1H3,(H,11,12);;;;;4*1H2;.
What are the key properties of cobalt;tetrakis(decanoic acid);titanium;tetrahydrate?
cobalt;tetrakis(decanoic acid);titanium;tetrahydrate has a molecular weight of 1044.73 g/mol, XLogP of 9.54, 32 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;tetrakis(decanoic acid);titanium;tetrahydrate is sourced from PubChem (CID 91844646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).