bis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate

C44H86Co2Ho2N2O20 — CID 139170313

IUPACbis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].C[O-].C[O-].[Co+3].[Co+3].[Ho+3].[Ho+3].[O-]CCN(CC[O-])CCO.[O-]CCN(CC[O-])CCO
InChIInChI=1S/2C6H13NO3.6C5H10O2.2CH3O.2Co.2Ho/c2*8-4-1-7(2-5-9)3-6-10;6*1-5(2,3)4(6)7;2*1-2;;;;/h2*8H,1-6H2;6*1-3H3,(H,6,7);2*1H3;;;;/q2*-2;;;;;;;2*-1;4*+3/p-6
InChIKeyREEOYQYTHYLDDM-UHFFFAOYSA-H
MW1410.89 g/mol
LogP-9.35
Rot. Bonds12

About bis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate

bis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate (PubChem CID 139170313) has the molecular formula C44H86Co2Ho2N2O20 and a molecular weight of 1410.89 g/mol. Its IUPAC name is bis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate.

Molecular Properties

Compound Namebis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate
PubChem CID139170313
Molecular FormulaC44H86Co2Ho2N2O20
Molecular Weight1410.89 g/mol
Exact Mass1410.30
IUPAC Namebis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].C[O-].C[O-].[Co+3].[Co+3].[Ho+3].[Ho+3].[O-]CCN(CC[O-])CCO.[O-]CCN(CC[O-])CCO
InChIInChI=1S/2C6H13NO3.6C5H10O2.2CH3O.2Co.2Ho/c2*8-4-1-7(2-5-9)3-6-10;6*1-5(2,3)4(6)7;2*1-2;;;;/h2*8H,1-6H2;6*1-3H3,(H,6,7);2*1H3;;;;/q2*-2;;;;;;;2*-1;4*+3/p-6
InChIKeyREEOYQYTHYLDDM-UHFFFAOYSA-H
XLogP-9.35
TPSA426.08 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001410.89
LogP ≤ 5-9.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

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Related Compounds

bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate)
CID 139173792
dicopper;bis(2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanolate);dinitrate
CID 139142088
iodanium 2,2-dimethylpropanoate
CID 172810367
potassium 2,2-dimethylpropanoate
CID 23662159
2,2-dimethylpropanoate;palladium
CID 146681285
barium(2+);bis(2,2-dimethylpropanoate)
CID 15120173
2,2-dimethylpropanoate;2-hydroxyethyl(trimethyl)azanium
CID 21472941
bis(2-[bis(2-hydroxyethyl)amino]ethanol);bis(butan-1-olate);zirconium(2+)
CID 158125948
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
tris(2,2-dimethylpropanoate);methyltin(3+)
CID 160806145
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate?
The IUPAC name of bis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate (CID 139170313) is bis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate.
What is the SMILES notation for bis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate?
The canonical SMILES for bis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate is CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].C[O-].C[O-].[Co+3].[Co+3].[Ho+3].[Ho+3].[O-]CCN(CC[O-])CCO.[O-]CCN(CC[O-])CCO.
What is the InChIKey of bis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate?
The InChIKey is REEOYQYTHYLDDM-UHFFFAOYSA-H. The full InChI is InChI=1S/2C6H13NO3.6C5H10O2.2CH3O.2Co.2Ho/c2*8-4-1-7(2-5-9)3-6-10;6*1-5(2,3)4(6)7;2*1-2;;;;/h2*8H,1-6H2;6*1-3H3,(H,6,7);2*1H3;;;;/q2*-2;;;;;;;2*-1;4*+3/p-6.
What are the key properties of bis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate?
bis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate has a molecular weight of 1410.89 g/mol, XLogP of -9.35, 12 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate is sourced from PubChem (CID 139170313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).