bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate)

C22H48CoN2O10 — CID 139173792

IUPACbis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate)
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].OCCN(CCO)CCO.OCCN(CCO)CCO.[Co+2]
InChIInChI=1S/2C6H15NO3.2C5H10O2.Co/c2*8-4-1-7(2-5-9)3-6-10;2*1-5(2,3)4(6)7;/h2*8-10H,1-6H2;2*1-3H3,(H,6,7);/q;;;;+2/p-2
InChIKeyHAJZIDKSNJHSJW-UHFFFAOYSA-L
MW559.56 g/mol
LogP-3.91
Rot. Bonds12

About bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate)

bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate) (PubChem CID 139173792) has the molecular formula C22H48CoN2O10 and a molecular weight of 559.56 g/mol. Its IUPAC name is bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate).

Molecular Properties

Compound Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate)
PubChem CID139173792
Molecular FormulaC22H48CoN2O10
Molecular Weight559.56 g/mol
Exact Mass559.26
IUPAC Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate)
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].OCCN(CCO)CCO.OCCN(CCO)CCO.[Co+2]
InChIInChI=1S/2C6H15NO3.2C5H10O2.Co/c2*8-4-1-7(2-5-9)3-6-10;2*1-5(2,3)4(6)7;/h2*8-10H,1-6H2;2*1-3H3,(H,6,7);/q;;;;+2/p-2
InChIKeyHAJZIDKSNJHSJW-UHFFFAOYSA-L
XLogP-3.91
TPSA208.12 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500559.56
LogP ≤ 5-3.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate)?
The IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate) (CID 139173792) is bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate).
What is the SMILES notation for bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate)?
The canonical SMILES for bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate) is CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].OCCN(CCO)CCO.OCCN(CCO)CCO.[Co+2].
What is the InChIKey of bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate)?
The InChIKey is HAJZIDKSNJHSJW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H15NO3.2C5H10O2.Co/c2*8-4-1-7(2-5-9)3-6-10;2*1-5(2,3)4(6)7;/h2*8-10H,1-6H2;2*1-3H3,(H,6,7);/q;;;;+2/p-2.
What are the key properties of bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate)?
bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate) has a molecular weight of 559.56 g/mol, XLogP of -3.91, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[bis(2-hydroxyethyl)amino]ethanol);cobalt(2+);bis(2,2-dimethylpropanoate) is sourced from PubChem (CID 139173792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).