2-chloroethylperoxy-methoxy-oxophosphanium

C3H7ClO4P+ — CID 88898205

IUPAC2-chloroethylperoxy-methoxy-oxophosphanium
SMILESCO[P+](=O)OOCCCl
InChIInChI=1S/C3H7ClO4P/c1-6-9(5)8-7-3-2-4/h2-3H2,1H3/q+1
InChIKeyBMLOBHNPHRPHND-UHFFFAOYSA-N
MW173.51 g/mol
LogP1.48
Rot. Bonds5

About 2-chloroethylperoxy-methoxy-oxophosphanium

2-chloroethylperoxy-methoxy-oxophosphanium (PubChem CID 88898205) has the molecular formula C3H7ClO4P+ and a molecular weight of 173.51 g/mol. Its IUPAC name is 2-chloroethylperoxy-methoxy-oxophosphanium.

Molecular Properties

Compound Name2-chloroethylperoxy-methoxy-oxophosphanium
PubChem CID88898205
Molecular FormulaC3H7ClO4P+
Molecular Weight173.51 g/mol
Exact Mass172.98
IUPAC Name2-chloroethylperoxy-methoxy-oxophosphanium
SMILESCO[P+](=O)OOCCCl
InChIInChI=1S/C3H7ClO4P/c1-6-9(5)8-7-3-2-4/h2-3H2,1H3/q+1
InChIKeyBMLOBHNPHRPHND-UHFFFAOYSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.51
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethylperoxy-methoxy-oxophosphanium?
The IUPAC name of 2-chloroethylperoxy-methoxy-oxophosphanium (CID 88898205) is 2-chloroethylperoxy-methoxy-oxophosphanium.
What is the SMILES notation for 2-chloroethylperoxy-methoxy-oxophosphanium?
The canonical SMILES for 2-chloroethylperoxy-methoxy-oxophosphanium is CO[P+](=O)OOCCCl.
What is the InChIKey of 2-chloroethylperoxy-methoxy-oxophosphanium?
The InChIKey is BMLOBHNPHRPHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClO4P/c1-6-9(5)8-7-3-2-4/h2-3H2,1H3/q+1.
What are the key properties of 2-chloroethylperoxy-methoxy-oxophosphanium?
2-chloroethylperoxy-methoxy-oxophosphanium has a molecular weight of 173.51 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethylperoxy-methoxy-oxophosphanium is sourced from PubChem (CID 88898205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).