bis(cobalt(2+));propanoate;diacetate

C10H16Co2O8 — CID 173406713

IUPACbis(cobalt(2+));propanoate;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Co+2].[Co+2]
InChIInChI=1S/2C3H6O2.2C2H4O2.2Co/c2*1-2-3(4)5;2*1-2(3)4;;/h2*2H2,1H3,(H,4,5);2*1H3,(H,3,4);;/q;;;;2*+2/p-4
InChIKeyRLAAHGQWNYRKGV-UHFFFAOYSA-J
MW382.10 g/mol
LogP-4.20
Rot. Bonds2

About bis(cobalt(2+));propanoate;diacetate

bis(cobalt(2+));propanoate;diacetate (PubChem CID 173406713) has the molecular formula C10H16Co2O8 and a molecular weight of 382.10 g/mol. Its IUPAC name is bis(cobalt(2+));propanoate;diacetate.

Molecular Properties

Compound Namebis(cobalt(2+));propanoate;diacetate
PubChem CID173406713
Molecular FormulaC10H16Co2O8
Molecular Weight382.10 g/mol
Exact Mass381.95
IUPAC Namebis(cobalt(2+));propanoate;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Co+2].[Co+2]
InChIInChI=1S/2C3H6O2.2C2H4O2.2Co/c2*1-2-3(4)5;2*1-2(3)4;;/h2*2H2,1H3,(H,4,5);2*1H3,(H,3,4);;/q;;;;2*+2/p-4
InChIKeyRLAAHGQWNYRKGV-UHFFFAOYSA-J
XLogP-4.20
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.10
LogP ≤ 5-4.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 167712674
propanoate;rubidium(1+)
CID 23716263
CID 57352970
CID 57352970
copper(1+);propanoate
CID 22149607
europium(2+);propanoate
CID 88778777
trisodium;propanoate
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indium(1+);propanoate
CID 101213769
bis(cobalt(2+));tetraacetate
CID 157121376
calcium;propanoate;trihydrate
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Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));propanoate;diacetate?
The IUPAC name of bis(cobalt(2+));propanoate;diacetate (CID 173406713) is bis(cobalt(2+));propanoate;diacetate.
What is the SMILES notation for bis(cobalt(2+));propanoate;diacetate?
The canonical SMILES for bis(cobalt(2+));propanoate;diacetate is CC(=O)[O-].CC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Co+2].[Co+2].
What is the InChIKey of bis(cobalt(2+));propanoate;diacetate?
The InChIKey is RLAAHGQWNYRKGV-UHFFFAOYSA-J. The full InChI is InChI=1S/2C3H6O2.2C2H4O2.2Co/c2*1-2-3(4)5;2*1-2(3)4;;/h2*2H2,1H3,(H,4,5);2*1H3,(H,3,4);;/q;;;;2*+2/p-4.
What are the key properties of bis(cobalt(2+));propanoate;diacetate?
bis(cobalt(2+));propanoate;diacetate has a molecular weight of 382.10 g/mol, XLogP of -4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(2+));propanoate;diacetate is sourced from PubChem (CID 173406713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).