bis(2,3-dichloroprop-2-enoxy)-oxophosphanium

C6H6Cl4O3P+ — CID 71366129

IUPACbis(2,3-dichloroprop-2-enoxy)-oxophosphanium
SMILESO=[P+](OCC(Cl)=CCl)OCC(Cl)=CCl
InChIInChI=1S/C6H6Cl4O3P/c7-1-5(9)3-12-14(11)13-4-6(10)2-8/h1-2H,3-4H2/q+1
InChIKeyNPZMTWGHJNINRQ-UHFFFAOYSA-N
MW298.90 g/mol
LogP4.32
Rot. Bonds6

About bis(2,3-dichloroprop-2-enoxy)-oxophosphanium

bis(2,3-dichloroprop-2-enoxy)-oxophosphanium (PubChem CID 71366129) has the molecular formula C6H6Cl4O3P+ and a molecular weight of 298.90 g/mol. Its IUPAC name is bis(2,3-dichloroprop-2-enoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2,3-dichloroprop-2-enoxy)-oxophosphanium
PubChem CID71366129
Molecular FormulaC6H6Cl4O3P+
Molecular Weight298.90 g/mol
Exact Mass296.88
IUPAC Namebis(2,3-dichloroprop-2-enoxy)-oxophosphanium
SMILESO=[P+](OCC(Cl)=CCl)OCC(Cl)=CCl
InChIInChI=1S/C6H6Cl4O3P/c7-1-5(9)3-12-14(11)13-4-6(10)2-8/h1-2H,3-4H2/q+1
InChIKeyNPZMTWGHJNINRQ-UHFFFAOYSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.90
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,3-dichloroprop-2-enoxy)-oxophosphanium?
The IUPAC name of bis(2,3-dichloroprop-2-enoxy)-oxophosphanium (CID 71366129) is bis(2,3-dichloroprop-2-enoxy)-oxophosphanium.
What is the SMILES notation for bis(2,3-dichloroprop-2-enoxy)-oxophosphanium?
The canonical SMILES for bis(2,3-dichloroprop-2-enoxy)-oxophosphanium is O=[P+](OCC(Cl)=CCl)OCC(Cl)=CCl.
What is the InChIKey of bis(2,3-dichloroprop-2-enoxy)-oxophosphanium?
The InChIKey is NPZMTWGHJNINRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl4O3P/c7-1-5(9)3-12-14(11)13-4-6(10)2-8/h1-2H,3-4H2/q+1.
What are the key properties of bis(2,3-dichloroprop-2-enoxy)-oxophosphanium?
bis(2,3-dichloroprop-2-enoxy)-oxophosphanium has a molecular weight of 298.90 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dichloroprop-2-enoxy)-oxophosphanium is sourced from PubChem (CID 71366129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).