carbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate

C4H8CuO7 — CID 164970225

IUPACcarbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate
SMILESCOC(=O)OC.O.O=O.[C-]#[O+].[Cu]
InChIInChI=1S/C3H6O3.CO.Cu.O2.H2O/c1-5-3(4)6-2;1-2;;1-2;/h1-2H3;;;;1H2
InChIKeyRSHXCQZMWVMRRA-UHFFFAOYSA-N
MW231.65 g/mol
LogP-0.40
Rot. Bonds

About carbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate

carbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate (PubChem CID 164970225) has the molecular formula C4H8CuO7 and a molecular weight of 231.65 g/mol. Its IUPAC name is carbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate.

Molecular Properties

Compound Namecarbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate
PubChem CID164970225
Molecular FormulaC4H8CuO7
Molecular Weight231.65 g/mol
Exact Mass230.96
IUPAC Namecarbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate
SMILESCOC(=O)OC.O.O=O.[C-]#[O+].[Cu]
InChIInChI=1S/C3H6O3.CO.Cu.O2.H2O/c1-5-3(4)6-2;1-2;;1-2;/h1-2H3;;;;1H2
InChIKeyRSHXCQZMWVMRRA-UHFFFAOYSA-N
XLogP-0.40
TPSA121.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

dimethyl carbonate;ethane
CID 160632176
magnesium;dimethyl carbonate;hydride
CID 173223307
dimethyl carbonate;methane;methanol;urea;hydrate
CID 159911906
acetonitrile;dimethyl carbonate;trifluoroborane
CID 175227127
dimethyl carbonate;ethane-1,2-diol;ethene
CID 173368401
hydroxy methyl carbonate
CID 158464551
dimethyl carbonate;dimethyl sulfate;methane
CID 159747638
copper;methyl acetate
CID 174340034
[cyano(methyl)amino] methyl carbonate
CID 89283667
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
1-hydroxyethoxy methyl carbonate
CID 175191129
deuteride;methyl acetate;hydrate
CID 160772266

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate?
The IUPAC name of carbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate (CID 164970225) is carbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate.
What is the SMILES notation for carbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate?
The canonical SMILES for carbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate is COC(=O)OC.O.O=O.[C-]#[O+].[Cu].
What is the InChIKey of carbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate?
The InChIKey is RSHXCQZMWVMRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.CO.Cu.O2.H2O/c1-5-3(4)6-2;1-2;;1-2;/h1-2H3;;;;1H2.
What are the key properties of carbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate?
carbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate has a molecular weight of 231.65 g/mol, XLogP of -0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;copper;dimethyl carbonate;molecular oxygen;hydrate is sourced from PubChem (CID 164970225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).