prop-2-enoxy hypochlorite

C3H5ClO2 — CID 87074644

IUPACprop-2-enoxy hypochlorite
SMILESC=CCOOCl
InChIInChI=1S/C3H5ClO2/c1-2-3-5-6-4/h2H,1,3H2
InChIKeyLWKNGYWQLLWYKO-UHFFFAOYSA-N
MW108.52 g/mol
LogP1.27
Rot. Bonds3

About prop-2-enoxy hypochlorite

prop-2-enoxy hypochlorite (PubChem CID 87074644) has the molecular formula C3H5ClO2 and a molecular weight of 108.52 g/mol. Its IUPAC name is prop-2-enoxy hypochlorite.

Molecular Properties

Compound Nameprop-2-enoxy hypochlorite
PubChem CID87074644
Molecular FormulaC3H5ClO2
Molecular Weight108.52 g/mol
Exact Mass108.00
IUPAC Nameprop-2-enoxy hypochlorite
SMILESC=CCOOCl
InChIInChI=1S/C3H5ClO2/c1-2-3-5-6-4/h2H,1,3H2
InChIKeyLWKNGYWQLLWYKO-UHFFFAOYSA-N
XLogP1.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.52
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enoxy hypochlorite?
The IUPAC name of prop-2-enoxy hypochlorite (CID 87074644) is prop-2-enoxy hypochlorite.
What is the SMILES notation for prop-2-enoxy hypochlorite?
The canonical SMILES for prop-2-enoxy hypochlorite is C=CCOOCl.
What is the InChIKey of prop-2-enoxy hypochlorite?
The InChIKey is LWKNGYWQLLWYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO2/c1-2-3-5-6-4/h2H,1,3H2.
What are the key properties of prop-2-enoxy hypochlorite?
prop-2-enoxy hypochlorite has a molecular weight of 108.52 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxy hypochlorite is sourced from PubChem (CID 87074644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).