chloromethane;oxolane;zinc

C5H11ClOZn — CID 159082038

IUPACchloromethane;oxolane;zinc
SMILESC1CCOC1.CCl.[Zn]
InChIInChI=1S/C4H8O.CH3Cl.Zn/c1-2-4-5-3-1;1-2;/h1-4H2;1H3;
InChIKeyKAZBPGZWBWSSQZ-UHFFFAOYSA-N
MW187.98 g/mol
LogP1.65
Rot. Bonds

About chloromethane;oxolane;zinc

chloromethane;oxolane;zinc (PubChem CID 159082038) has the molecular formula C5H11ClOZn and a molecular weight of 187.98 g/mol. Its IUPAC name is chloromethane;oxolane;zinc.

Molecular Properties

Compound Namechloromethane;oxolane;zinc
PubChem CID159082038
Molecular FormulaC5H11ClOZn
Molecular Weight187.98 g/mol
Exact Mass185.98
IUPAC Namechloromethane;oxolane;zinc
SMILESC1CCOC1.CCl.[Zn]
InChIInChI=1S/C4H8O.CH3Cl.Zn/c1-2-4-5-3-1;1-2;/h1-4H2;1H3;
InChIKeyKAZBPGZWBWSSQZ-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.98
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

oxane;zinc
CID 66716277
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
2-chloropropane;oxolane
CID 159770837
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
manganese;oxolane
CID 70504486
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxolane;titanium
CID 160710512
oxacycloheptadecane
CID 22011753

Frequently Asked Questions

What is the IUPAC name of chloromethane;oxolane;zinc?
The IUPAC name of chloromethane;oxolane;zinc (CID 159082038) is chloromethane;oxolane;zinc.
What is the SMILES notation for chloromethane;oxolane;zinc?
The canonical SMILES for chloromethane;oxolane;zinc is C1CCOC1.CCl.[Zn].
What is the InChIKey of chloromethane;oxolane;zinc?
The InChIKey is KAZBPGZWBWSSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.CH3Cl.Zn/c1-2-4-5-3-1;1-2;/h1-4H2;1H3;.
What are the key properties of chloromethane;oxolane;zinc?
chloromethane;oxolane;zinc has a molecular weight of 187.98 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;oxolane;zinc is sourced from PubChem (CID 159082038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).