copper;propanoate;propanoic acid;sulfuric acid

C9H18CuO10S — CID 175958955

IUPACcopper;propanoate;propanoic acid;sulfuric acid
SMILESCCC(=O)O.CCC(=O)[O-].CCC(=O)[O-].O=S(=O)(O)O.[Cu+2]
InChIInChI=1S/3C3H6O2.Cu.H2O4S/c3*1-2-3(4)5;;1-5(2,3)4/h3*2H2,1H3,(H,4,5);;(H2,1,2,3,4)/q;;;+2;/p-2
InChIKeyJZCHURGJKFLMKH-UHFFFAOYSA-L
MW381.85 g/mol
LogP-1.88
Rot. Bonds3

About copper;propanoate;propanoic acid;sulfuric acid

copper;propanoate;propanoic acid;sulfuric acid (PubChem CID 175958955) has the molecular formula C9H18CuO10S and a molecular weight of 381.85 g/mol. Its IUPAC name is copper;propanoate;propanoic acid;sulfuric acid.

Molecular Properties

Compound Namecopper;propanoate;propanoic acid;sulfuric acid
PubChem CID175958955
Molecular FormulaC9H18CuO10S
Molecular Weight381.85 g/mol
Exact Mass380.99
IUPAC Namecopper;propanoate;propanoic acid;sulfuric acid
SMILESCCC(=O)O.CCC(=O)[O-].CCC(=O)[O-].O=S(=O)(O)O.[Cu+2]
InChIInChI=1S/3C3H6O2.Cu.H2O4S/c3*1-2-3(4)5;;1-5(2,3)4/h3*2H2,1H3,(H,4,5);;(H2,1,2,3,4)/q;;;+2;/p-2
InChIKeyJZCHURGJKFLMKH-UHFFFAOYSA-L
XLogP-1.88
TPSA192.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.85
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;propanoate;propanoic acid;sulfuric acid?
The IUPAC name of copper;propanoate;propanoic acid;sulfuric acid (CID 175958955) is copper;propanoate;propanoic acid;sulfuric acid.
What is the SMILES notation for copper;propanoate;propanoic acid;sulfuric acid?
The canonical SMILES for copper;propanoate;propanoic acid;sulfuric acid is CCC(=O)O.CCC(=O)[O-].CCC(=O)[O-].O=S(=O)(O)O.[Cu+2].
What is the InChIKey of copper;propanoate;propanoic acid;sulfuric acid?
The InChIKey is JZCHURGJKFLMKH-UHFFFAOYSA-L. The full InChI is InChI=1S/3C3H6O2.Cu.H2O4S/c3*1-2-3(4)5;;1-5(2,3)4/h3*2H2,1H3,(H,4,5);;(H2,1,2,3,4)/q;;;+2;/p-2.
What are the key properties of copper;propanoate;propanoic acid;sulfuric acid?
copper;propanoate;propanoic acid;sulfuric acid has a molecular weight of 381.85 g/mol, XLogP of -1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;propanoate;propanoic acid;sulfuric acid is sourced from PubChem (CID 175958955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).