bis(2-chloroethoxy)-oxophosphanium;chloroethane

C6H13Cl3O3P+ — CID 88520254

IUPACbis(2-chloroethoxy)-oxophosphanium;chloroethane
SMILESCCCl.O=[P+](OCCCl)OCCCl
InChIInChI=1S/C4H8Cl2O3P.C2H5Cl/c5-1-3-8-10(7)9-4-2-6;1-2-3/h1-4H2;2H2,1H3/q+1;
InChIKeyDFPADPWNXRTMJH-UHFFFAOYSA-N
MW270.50 g/mol
LogP3.40
Rot. Bonds6

About bis(2-chloroethoxy)-oxophosphanium;chloroethane

bis(2-chloroethoxy)-oxophosphanium;chloroethane (PubChem CID 88520254) has the molecular formula C6H13Cl3O3P+ and a molecular weight of 270.50 g/mol. Its IUPAC name is bis(2-chloroethoxy)-oxophosphanium;chloroethane.

Molecular Properties

Compound Namebis(2-chloroethoxy)-oxophosphanium;chloroethane
PubChem CID88520254
Molecular FormulaC6H13Cl3O3P+
Molecular Weight270.50 g/mol
Exact Mass268.97
IUPAC Namebis(2-chloroethoxy)-oxophosphanium;chloroethane
SMILESCCCl.O=[P+](OCCCl)OCCCl
InChIInChI=1S/C4H8Cl2O3P.C2H5Cl/c5-1-3-8-10(7)9-4-2-6;1-2-3/h1-4H2;2H2,1H3/q+1;
InChIKeyDFPADPWNXRTMJH-UHFFFAOYSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 53.40
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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Related Compounds

chloroethane;2-chloroethoxy-(1-hydroxypropoxy)-oxophosphanium
CID 21493293
chloroethane;2-chloroethoxy-(1-hydroxy-1,2,2-tripropoxypropoxy)-oxophosphanium
CID 21493302
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
oxo(dipentoxy)phosphanium;zinc
CID 157360735
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
butoxy-dodecoxy-oxophosphanium
CID 175103299
dioctoxy(oxo)phosphanium;zinc
CID 175522796
CID 157268042
CID 157268042
oxo-bis(2-trimethylsilylethoxy)phosphanium
CID 10731640
4-methylpentoxy-oxo-propoxyphosphanium
CID 170366726

Frequently Asked Questions

What is the IUPAC name of bis(2-chloroethoxy)-oxophosphanium;chloroethane?
The IUPAC name of bis(2-chloroethoxy)-oxophosphanium;chloroethane (CID 88520254) is bis(2-chloroethoxy)-oxophosphanium;chloroethane.
What is the SMILES notation for bis(2-chloroethoxy)-oxophosphanium;chloroethane?
The canonical SMILES for bis(2-chloroethoxy)-oxophosphanium;chloroethane is CCCl.O=[P+](OCCCl)OCCCl.
What is the InChIKey of bis(2-chloroethoxy)-oxophosphanium;chloroethane?
The InChIKey is DFPADPWNXRTMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O3P.C2H5Cl/c5-1-3-8-10(7)9-4-2-6;1-2-3/h1-4H2;2H2,1H3/q+1;.
What are the key properties of bis(2-chloroethoxy)-oxophosphanium;chloroethane?
bis(2-chloroethoxy)-oxophosphanium;chloroethane has a molecular weight of 270.50 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloroethoxy)-oxophosphanium;chloroethane is sourced from PubChem (CID 88520254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).