cobalt;undecanoic acid

C11H22CoO2 — CID 88843834

IUPACcobalt;undecanoic acid
SMILESCCCCCCCCCCC(=O)O.[Co]
InChIInChI=1S/C11H22O2.Co/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2-10H2,1H3,(H,12,13);
InChIKeyLYGUNGJCCWQEIT-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.60
Rot. Bonds9

About cobalt;undecanoic acid

cobalt;undecanoic acid (PubChem CID 88843834) has the molecular formula C11H22CoO2 and a molecular weight of 245.23 g/mol. Its IUPAC name is cobalt;undecanoic acid.

Molecular Properties

Compound Namecobalt;undecanoic acid
PubChem CID88843834
Molecular FormulaC11H22CoO2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Namecobalt;undecanoic acid
SMILESCCCCCCCCCCC(=O)O.[Co]
InChIInChI=1S/C11H22O2.Co/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2-10H2,1H3,(H,12,13);
InChIKeyLYGUNGJCCWQEIT-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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docosanoic acid;tetradecane
CID 157248197
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912

Frequently Asked Questions

What is the IUPAC name of cobalt;undecanoic acid?
The IUPAC name of cobalt;undecanoic acid (CID 88843834) is cobalt;undecanoic acid.
What is the SMILES notation for cobalt;undecanoic acid?
The canonical SMILES for cobalt;undecanoic acid is CCCCCCCCCCC(=O)O.[Co].
What is the InChIKey of cobalt;undecanoic acid?
The InChIKey is LYGUNGJCCWQEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.Co/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2-10H2,1H3,(H,12,13);.
What are the key properties of cobalt;undecanoic acid?
cobalt;undecanoic acid has a molecular weight of 245.23 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;undecanoic acid is sourced from PubChem (CID 88843834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).