cobalt;3-methoxydioxiran-3-ol

C2H4CoO4 — CID 174897941

IUPACcobalt;3-methoxydioxiran-3-ol
SMILESCOC1(O)OO1.[Co]
InChIInChI=1S/C2H4O4.Co/c1-4-2(3)5-6-2;/h3H,1H3;
InChIKeyQIEVIMNALJRJPY-UHFFFAOYSA-N
MW150.98 g/mol
LogP-0.80
Rot. Bonds1

About cobalt;3-methoxydioxiran-3-ol

cobalt;3-methoxydioxiran-3-ol (PubChem CID 174897941) has the molecular formula C2H4CoO4 and a molecular weight of 150.98 g/mol. Its IUPAC name is cobalt;3-methoxydioxiran-3-ol.

Molecular Properties

Compound Namecobalt;3-methoxydioxiran-3-ol
PubChem CID174897941
Molecular FormulaC2H4CoO4
Molecular Weight150.98 g/mol
Exact Mass150.94
IUPAC Namecobalt;3-methoxydioxiran-3-ol
SMILESCOC1(O)OO1.[Co]
InChIInChI=1S/C2H4O4.Co/c1-4-2(3)5-6-2;/h3H,1H3;
InChIKeyQIEVIMNALJRJPY-UHFFFAOYSA-N
XLogP-0.80
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.98
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-Methoxydioxiran-3-ol
CID 87359266
Calcium;hydride;3-methoxydioxiran-3-ol
CID 173064085
Azane;3-methoxydioxiran-3-ol
CID 174848331
Lanthanum;3-methoxydioxiran-3-ol
CID 175608723

Frequently Asked Questions

What is the IUPAC name of cobalt;3-methoxydioxiran-3-ol?
The IUPAC name of cobalt;3-methoxydioxiran-3-ol (CID 174897941) is cobalt;3-methoxydioxiran-3-ol.
What is the SMILES notation for cobalt;3-methoxydioxiran-3-ol?
The canonical SMILES for cobalt;3-methoxydioxiran-3-ol is COC1(O)OO1.[Co].
What is the InChIKey of cobalt;3-methoxydioxiran-3-ol?
The InChIKey is QIEVIMNALJRJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O4.Co/c1-4-2(3)5-6-2;/h3H,1H3;.
What are the key properties of cobalt;3-methoxydioxiran-3-ol?
cobalt;3-methoxydioxiran-3-ol has a molecular weight of 150.98 g/mol, XLogP of -0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;3-methoxydioxiran-3-ol is sourced from PubChem (CID 174897941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).