cobalt;octanoic acid;1,2-xylene

C16H26CoO2 — CID 175075701

IUPACcobalt;octanoic acid;1,2-xylene
SMILESCCCCCCCC(=O)O.Cc1ccccc1C.[Co]
InChIInChI=1S/C8H16O2.C8H10.Co/c1-2-3-4-5-6-7-8(9)10;1-7-5-3-4-6-8(7)2;/h2-7H2,1H3,(H,9,10);3-6H,1-2H3;
InChIKeyMKECYDBPAZVNPC-UHFFFAOYSA-N
MW309.31 g/mol
LogP4.73
Rot. Bonds6

About cobalt;octanoic acid;1,2-xylene

cobalt;octanoic acid;1,2-xylene (PubChem CID 175075701) has the molecular formula C16H26CoO2 and a molecular weight of 309.31 g/mol. Its IUPAC name is cobalt;octanoic acid;1,2-xylene.

Molecular Properties

Compound Namecobalt;octanoic acid;1,2-xylene
PubChem CID175075701
Molecular FormulaC16H26CoO2
Molecular Weight309.31 g/mol
Exact Mass309.13
IUPAC Namecobalt;octanoic acid;1,2-xylene
SMILESCCCCCCCC(=O)O.Cc1ccccc1C.[Co]
InChIInChI=1S/C8H16O2.C8H10.Co/c1-2-3-4-5-6-7-8(9)10;1-7-5-3-4-6-8(7)2;/h2-7H2,1H3,(H,9,10);3-6H,1-2H3;
InChIKeyMKECYDBPAZVNPC-UHFFFAOYSA-N
XLogP4.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 54.73
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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Frequently Asked Questions

What is the IUPAC name of cobalt;octanoic acid;1,2-xylene?
The IUPAC name of cobalt;octanoic acid;1,2-xylene (CID 175075701) is cobalt;octanoic acid;1,2-xylene.
What is the SMILES notation for cobalt;octanoic acid;1,2-xylene?
The canonical SMILES for cobalt;octanoic acid;1,2-xylene is CCCCCCCC(=O)O.Cc1ccccc1C.[Co].
What is the InChIKey of cobalt;octanoic acid;1,2-xylene?
The InChIKey is MKECYDBPAZVNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C8H10.Co/c1-2-3-4-5-6-7-8(9)10;1-7-5-3-4-6-8(7)2;/h2-7H2,1H3,(H,9,10);3-6H,1-2H3;.
What are the key properties of cobalt;octanoic acid;1,2-xylene?
cobalt;octanoic acid;1,2-xylene has a molecular weight of 309.31 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;octanoic acid;1,2-xylene is sourced from PubChem (CID 175075701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).