tetrakis(cobalt(2+));octakis(decanoate)

C80H152Co4O16 — CID 22485854

IUPACtetrakis(cobalt(2+));octakis(decanoate)
SMILESCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Co+2].[Co+2].[Co+2].[Co+2]
InChIInChI=1S/8C10H20O2.4Co/c8*1-2-3-4-5-6-7-8-9-10(11)12;;;;/h8*2-9H2,1H3,(H,11,12);;;;/q;;;;;;;;4*+2/p-8
InChIKeyKHYBGTCJBJWSMM-UHFFFAOYSA-F
MW1605.81 g/mol
LogP15.01
Rot. Bonds64

About tetrakis(cobalt(2+));octakis(decanoate)

tetrakis(cobalt(2+));octakis(decanoate) (PubChem CID 22485854) has the molecular formula C80H152Co4O16 and a molecular weight of 1605.81 g/mol. Its IUPAC name is tetrakis(cobalt(2+));octakis(decanoate).

Molecular Properties

Compound Nametetrakis(cobalt(2+));octakis(decanoate)
PubChem CID22485854
Molecular FormulaC80H152Co4O16
Molecular Weight1605.81 g/mol
Exact Mass1604.84
IUPAC Nametetrakis(cobalt(2+));octakis(decanoate)
SMILESCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Co+2].[Co+2].[Co+2].[Co+2]
InChIInChI=1S/8C10H20O2.4Co/c8*1-2-3-4-5-6-7-8-9-10(11)12;;;;/h8*2-9H2,1H3,(H,11,12);;;;/q;;;;;;;;4*+2/p-8
InChIKeyKHYBGTCJBJWSMM-UHFFFAOYSA-F
XLogP15.01
TPSA321.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds64
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.81
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

cobalt(2+);bis(heptanoate)
CID 14298657
calcium;cobalt(2+);tetrakis(octadecanoate)
CID 163980836
zinc;cobalt(2+);bis(octadecanoate)
CID 159850249
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
potassium heptanoate
CID 23681741
tetrakis(hexadecanoate);iridium
CID 173340545
diazanium bis(decanoate)
CID 141069575
octaazanium;octakis(decanoate)
CID 20849288

Frequently Asked Questions

What is the IUPAC name of tetrakis(cobalt(2+));octakis(decanoate)?
The IUPAC name of tetrakis(cobalt(2+));octakis(decanoate) (CID 22485854) is tetrakis(cobalt(2+));octakis(decanoate).
What is the SMILES notation for tetrakis(cobalt(2+));octakis(decanoate)?
The canonical SMILES for tetrakis(cobalt(2+));octakis(decanoate) is CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Co+2].[Co+2].[Co+2].[Co+2].
What is the InChIKey of tetrakis(cobalt(2+));octakis(decanoate)?
The InChIKey is KHYBGTCJBJWSMM-UHFFFAOYSA-F. The full InChI is InChI=1S/8C10H20O2.4Co/c8*1-2-3-4-5-6-7-8-9-10(11)12;;;;/h8*2-9H2,1H3,(H,11,12);;;;/q;;;;;;;;4*+2/p-8.
What are the key properties of tetrakis(cobalt(2+));octakis(decanoate)?
tetrakis(cobalt(2+));octakis(decanoate) has a molecular weight of 1605.81 g/mol, XLogP of 15.01, 64 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cobalt(2+));octakis(decanoate) is sourced from PubChem (CID 22485854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).