2-methoxyethyl hypochlorite

C3H7ClO2 — CID 11480416

IUPAC2-methoxyethyl hypochlorite
SMILESCOCCOCl
InChIInChI=1S/C3H7ClO2/c1-5-2-3-6-4/h2-3H2,1H3
InChIKeyDJXNJUFKKAVDME-UHFFFAOYSA-N
MW110.54 g/mol
LogP0.80
Rot. Bonds3

About 2-methoxyethyl hypochlorite

2-methoxyethyl hypochlorite (PubChem CID 11480416) has the molecular formula C3H7ClO2 and a molecular weight of 110.54 g/mol. Its IUPAC name is 2-methoxyethyl hypochlorite.

Molecular Properties

Compound Name2-methoxyethyl hypochlorite
PubChem CID11480416
Molecular FormulaC3H7ClO2
Molecular Weight110.54 g/mol
Exact Mass110.01
IUPAC Name2-methoxyethyl hypochlorite
SMILESCOCCOCl
InChIInChI=1S/C3H7ClO2/c1-5-2-3-6-4/h2-3H2,1H3
InChIKeyDJXNJUFKKAVDME-UHFFFAOYSA-N
XLogP0.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.54
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl hypochlorite?
The IUPAC name of 2-methoxyethyl hypochlorite (CID 11480416) is 2-methoxyethyl hypochlorite.
What is the SMILES notation for 2-methoxyethyl hypochlorite?
The canonical SMILES for 2-methoxyethyl hypochlorite is COCCOCl.
What is the InChIKey of 2-methoxyethyl hypochlorite?
The InChIKey is DJXNJUFKKAVDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClO2/c1-5-2-3-6-4/h2-3H2,1H3.
What are the key properties of 2-methoxyethyl hypochlorite?
2-methoxyethyl hypochlorite has a molecular weight of 110.54 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl hypochlorite is sourced from PubChem (CID 11480416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).