dioxirane-3,3-diol;zinc

CH2O4Zn2 — CID 87186873

IUPACdioxirane-3,3-diol;zinc
SMILESOC1(O)OO1.[Zn].[Zn]
InChIInChI=1S/CH2O4.2Zn/c2-1(3)4-5-1;;/h2-3H;;
InChIKeyRCGMRNZKKJKRFH-UHFFFAOYSA-N
MW208.80 g/mol
LogP-1.46
Rot. Bonds

About dioxirane-3,3-diol;zinc

dioxirane-3,3-diol;zinc (PubChem CID 87186873) has the molecular formula CH2O4Zn2 and a molecular weight of 208.80 g/mol. Its IUPAC name is dioxirane-3,3-diol;zinc.

Molecular Properties

Compound Namedioxirane-3,3-diol;zinc
PubChem CID87186873
Molecular FormulaCH2O4Zn2
Molecular Weight208.80 g/mol
Exact Mass205.85
IUPAC Namedioxirane-3,3-diol;zinc
SMILESOC1(O)OO1.[Zn].[Zn]
InChIInChI=1S/CH2O4.2Zn/c2-1(3)4-5-1;;/h2-3H;;
InChIKeyRCGMRNZKKJKRFH-UHFFFAOYSA-N
XLogP-1.46
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.80
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

cobalt;dioxirane-3,3-diol;manganese
CID 174678591
lithium;dioxirane-3,3-diol;hydride;manganese
CID 174494593
calcium;dioxirane-3,3-diol;hydride;nickel
CID 174738759
1,3,5-trioxane-2,2,4,4,6,6-hexol
CID 91305625
alumane;3-hydroperoxydioxiran-3-ol
CID 175238595
azane;3-methoxydioxiran-3-ol
CID 174848331
lanthanum;3-methoxydioxiran-3-ol
CID 175608723
3-methyl-2,4-dioxabicyclo[1.1.0]butan-1-ol
CID 173021166
3,3-dimethyldioxolane-4,4-diol
CID 19069932
4-chloro-4-hydroxydioxetan-3-one
CID 102161112
2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol
CID 71403401
3-(hydroxymethyl)oxolane-2,2-diol
CID 54251958

Frequently Asked Questions

What is the IUPAC name of dioxirane-3,3-diol;zinc?
The IUPAC name of dioxirane-3,3-diol;zinc (CID 87186873) is dioxirane-3,3-diol;zinc.
What is the SMILES notation for dioxirane-3,3-diol;zinc?
The canonical SMILES for dioxirane-3,3-diol;zinc is OC1(O)OO1.[Zn].[Zn].
What is the InChIKey of dioxirane-3,3-diol;zinc?
The InChIKey is RCGMRNZKKJKRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O4.2Zn/c2-1(3)4-5-1;;/h2-3H;;.
What are the key properties of dioxirane-3,3-diol;zinc?
dioxirane-3,3-diol;zinc has a molecular weight of 208.80 g/mol, XLogP of -1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxirane-3,3-diol;zinc is sourced from PubChem (CID 87186873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).