bis(3-chloropropoxy)-oxophosphanium

C6H12Cl2O3P+ — CID 15717899

IUPACbis(3-chloropropoxy)-oxophosphanium
SMILESO=[P+](OCCCCl)OCCCCl
InChIInChI=1S/C6H12Cl2O3P/c7-3-1-5-10-12(9)11-6-2-4-8/h1-6H2/q+1
InChIKeyUTOUFDKMBXCBRC-UHFFFAOYSA-N
MW234.04 g/mol
LogP2.93
Rot. Bonds8

About bis(3-chloropropoxy)-oxophosphanium

bis(3-chloropropoxy)-oxophosphanium (PubChem CID 15717899) has the molecular formula C6H12Cl2O3P+ and a molecular weight of 234.04 g/mol. Its IUPAC name is bis(3-chloropropoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(3-chloropropoxy)-oxophosphanium
PubChem CID15717899
Molecular FormulaC6H12Cl2O3P+
Molecular Weight234.04 g/mol
Exact Mass232.99
IUPAC Namebis(3-chloropropoxy)-oxophosphanium
SMILESO=[P+](OCCCCl)OCCCCl
InChIInChI=1S/C6H12Cl2O3P/c7-3-1-5-10-12(9)11-6-2-4-8/h1-6H2/q+1
InChIKeyUTOUFDKMBXCBRC-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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(3-chloropropoxy)-oxophosphanium?
The IUPAC name of bis(3-chloropropoxy)-oxophosphanium (CID 15717899) is bis(3-chloropropoxy)-oxophosphanium.
What is the SMILES notation for bis(3-chloropropoxy)-oxophosphanium?
The canonical SMILES for bis(3-chloropropoxy)-oxophosphanium is O=[P+](OCCCCl)OCCCCl.
What is the InChIKey of bis(3-chloropropoxy)-oxophosphanium?
The InChIKey is UTOUFDKMBXCBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2O3P/c7-3-1-5-10-12(9)11-6-2-4-8/h1-6H2/q+1.
What are the key properties of bis(3-chloropropoxy)-oxophosphanium?
bis(3-chloropropoxy)-oxophosphanium has a molecular weight of 234.04 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloropropoxy)-oxophosphanium is sourced from PubChem (CID 15717899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).