bis(2,3-dichloropropoxy)-oxophosphanium

C6H10Cl4O3P+ — CID 6330581

IUPACbis(2,3-dichloropropoxy)-oxophosphanium
SMILESO=[P+](OCC(Cl)CCl)OCC(Cl)CCl
InChIInChI=1S/C6H10Cl4O3P/c7-1-5(9)3-12-14(11)13-4-6(10)2-8/h5-6H,1-4H2/q+1
InChIKeyAXOWZDZTQFOZPF-UHFFFAOYSA-N
MW302.93 g/mol
LogP3.37
Rot. Bonds8

About bis(2,3-dichloropropoxy)-oxophosphanium

bis(2,3-dichloropropoxy)-oxophosphanium (PubChem CID 6330581) has the molecular formula C6H10Cl4O3P+ and a molecular weight of 302.93 g/mol. Its IUPAC name is bis(2,3-dichloropropoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2,3-dichloropropoxy)-oxophosphanium
PubChem CID6330581
Molecular FormulaC6H10Cl4O3P+
Molecular Weight302.93 g/mol
Exact Mass300.91
IUPAC Namebis(2,3-dichloropropoxy)-oxophosphanium
SMILESO=[P+](OCC(Cl)CCl)OCC(Cl)CCl
InChIInChI=1S/C6H10Cl4O3P/c7-1-5(9)3-12-14(11)13-4-6(10)2-8/h5-6H,1-4H2/q+1
InChIKeyAXOWZDZTQFOZPF-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.93
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,3-dichloropropoxy)-oxophosphanium?
The IUPAC name of bis(2,3-dichloropropoxy)-oxophosphanium (CID 6330581) is bis(2,3-dichloropropoxy)-oxophosphanium.
What is the SMILES notation for bis(2,3-dichloropropoxy)-oxophosphanium?
The canonical SMILES for bis(2,3-dichloropropoxy)-oxophosphanium is O=[P+](OCC(Cl)CCl)OCC(Cl)CCl.
What is the InChIKey of bis(2,3-dichloropropoxy)-oxophosphanium?
The InChIKey is AXOWZDZTQFOZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl4O3P/c7-1-5(9)3-12-14(11)13-4-6(10)2-8/h5-6H,1-4H2/q+1.
What are the key properties of bis(2,3-dichloropropoxy)-oxophosphanium?
bis(2,3-dichloropropoxy)-oxophosphanium has a molecular weight of 302.93 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dichloropropoxy)-oxophosphanium is sourced from PubChem (CID 6330581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).