zinc;2-methyloxirane;dichloride

C3H6Cl2OZn — CID 21163562

IUPACzinc;2-methyloxirane;dichloride
SMILESCC1CO1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C3H6O.2ClH.Zn/c1-3-2-4-3;;;/h3H,2H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyCDCASEFDDWEMDB-UHFFFAOYSA-L
MW194.38 g/mol
LogP-5.59
Rot. Bonds

About zinc;2-methyloxirane;dichloride

zinc;2-methyloxirane;dichloride (PubChem CID 21163562) has the molecular formula C3H6Cl2OZn and a molecular weight of 194.38 g/mol. Its IUPAC name is zinc;2-methyloxirane;dichloride.

Molecular Properties

Compound Namezinc;2-methyloxirane;dichloride
PubChem CID21163562
Molecular FormulaC3H6Cl2OZn
Molecular Weight194.38 g/mol
Exact Mass191.91
IUPAC Namezinc;2-methyloxirane;dichloride
SMILESCC1CO1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C3H6O.2ClH.Zn/c1-3-2-4-3;;;/h3H,2H2,1H3;2*1H;/q;;;+2/p-2
InChIKeyCDCASEFDDWEMDB-UHFFFAOYSA-L
XLogP-5.59
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.38
LogP ≤ 5-5.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;2-methyloxirane;dichloride?
The IUPAC name of zinc;2-methyloxirane;dichloride (CID 21163562) is zinc;2-methyloxirane;dichloride.
What is the SMILES notation for zinc;2-methyloxirane;dichloride?
The canonical SMILES for zinc;2-methyloxirane;dichloride is CC1CO1.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;2-methyloxirane;dichloride?
The InChIKey is CDCASEFDDWEMDB-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6O.2ClH.Zn/c1-3-2-4-3;;;/h3H,2H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;2-methyloxirane;dichloride?
zinc;2-methyloxirane;dichloride has a molecular weight of 194.38 g/mol, XLogP of -5.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-methyloxirane;dichloride is sourced from PubChem (CID 21163562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).