cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate)

C20H38CoO4 — CID 22833328

IUPACcobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate)
SMILESCCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-].[Co+2]
InChIInChI=1S/2C10H20O2.Co/c2*1-5-10(4,9(11)12)7-6-8(2)3;/h2*8H,5-7H2,1-4H3,(H,11,12);/q;;+2/p-2
InChIKeyKOKXAPDKXDSOEG-UHFFFAOYSA-L
MW401.45 g/mol
LogP3.18
Rot. Bonds10

About cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate)

cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate) (PubChem CID 22833328) has the molecular formula C20H38CoO4 and a molecular weight of 401.45 g/mol. Its IUPAC name is cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate).

Molecular Properties

Compound Namecobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate)
PubChem CID22833328
Molecular FormulaC20H38CoO4
Molecular Weight401.45 g/mol
Exact Mass401.21
IUPAC Namecobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate)
SMILESCCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-].[Co+2]
InChIInChI=1S/2C10H20O2.Co/c2*1-5-10(4,9(11)12)7-6-8(2)3;/h2*8H,5-7H2,1-4H3,(H,11,12);/q;;+2/p-2
InChIKeyKOKXAPDKXDSOEG-UHFFFAOYSA-L
XLogP3.18
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane
CID 173040977
(2S)-2-ethyl-2-methylpentanoate
CID 86306121
(2R)-2-ethyl-2-methylhexanoate
CID 86308625
bis(2-ethyl-2-methylheptanoate);manganese(2+)
CID 138394983
2,3-dihydroxypropyl 2-ethyl-2,5-dimethylhexanoate
CID 151891886
2,2-dimethyloctanoate;bis(2-ethyl-2-methylheptanoate);samarium(3+)
CID 102059876
3,3,6-trimethylheptan-2-one
CID 55274452
2-ethyl-2-(3-methylbutyl)propanedioyl dichloride
CID 22147568
2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid
CID 107871175
4-fluoro-4,7-dimethyloctan-3-one
CID 176990055
tert-butyl 2-ethyl-2,4-dimethylpentanoate
CID 90805514
2,5,8-trimethylnonan-5-ol
CID 58574498

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate)?
The IUPAC name of cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate) (CID 22833328) is cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate).
What is the SMILES notation for cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate)?
The canonical SMILES for cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate) is CCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-].[Co+2].
What is the InChIKey of cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate)?
The InChIKey is KOKXAPDKXDSOEG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H20O2.Co/c2*1-5-10(4,9(11)12)7-6-8(2)3;/h2*8H,5-7H2,1-4H3,(H,11,12);/q;;+2/p-2.
What are the key properties of cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate)?
cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate) has a molecular weight of 401.45 g/mol, XLogP of 3.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate) is sourced from PubChem (CID 22833328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).