chloro hypochlorite;2-chloro-3-methyloxirane

C3H5Cl3O2 — CID 174858426

IUPACchloro hypochlorite;2-chloro-3-methyloxirane
SMILESCC1OC1Cl.ClOCl
InChIInChI=1S/C3H5ClO.Cl2O/c1-2-3(4)5-2;1-3-2/h2-3H,1H3;
InChIKeyGLBRKRLNTIUHOE-UHFFFAOYSA-N
MW179.43 g/mol
LogP2.28
Rot. Bonds

About chloro hypochlorite;2-chloro-3-methyloxirane

chloro hypochlorite;2-chloro-3-methyloxirane (PubChem CID 174858426) has the molecular formula C3H5Cl3O2 and a molecular weight of 179.43 g/mol. Its IUPAC name is chloro hypochlorite;2-chloro-3-methyloxirane.

Molecular Properties

Compound Namechloro hypochlorite;2-chloro-3-methyloxirane
PubChem CID174858426
Molecular FormulaC3H5Cl3O2
Molecular Weight179.43 g/mol
Exact Mass177.94
IUPAC Namechloro hypochlorite;2-chloro-3-methyloxirane
SMILESCC1OC1Cl.ClOCl
InChIInChI=1S/C3H5ClO.Cl2O/c1-2-3(4)5-2;1-3-2/h2-3H,1H3;
InChIKeyGLBRKRLNTIUHOE-UHFFFAOYSA-N
XLogP2.28
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro hypochlorite;2-chloro-3-methyloxirane?
The IUPAC name of chloro hypochlorite;2-chloro-3-methyloxirane (CID 174858426) is chloro hypochlorite;2-chloro-3-methyloxirane.
What is the SMILES notation for chloro hypochlorite;2-chloro-3-methyloxirane?
The canonical SMILES for chloro hypochlorite;2-chloro-3-methyloxirane is CC1OC1Cl.ClOCl.
What is the InChIKey of chloro hypochlorite;2-chloro-3-methyloxirane?
The InChIKey is GLBRKRLNTIUHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO.Cl2O/c1-2-3(4)5-2;1-3-2/h2-3H,1H3;.
What are the key properties of chloro hypochlorite;2-chloro-3-methyloxirane?
chloro hypochlorite;2-chloro-3-methyloxirane has a molecular weight of 179.43 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro hypochlorite;2-chloro-3-methyloxirane is sourced from PubChem (CID 174858426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).