bis(2-bromoethoxy)-oxophosphanium

C4H8Br2O3P+ — CID 13366419

IUPACbis(2-bromoethoxy)-oxophosphanium
SMILESO=[P+](OCCBr)OCCBr
InChIInChI=1S/C4H8Br2O3P/c5-1-3-8-10(7)9-4-2-6/h1-4H2/q+1
InChIKeyJPPIQZCNLSAKMR-UHFFFAOYSA-N
MW294.89 g/mol
LogP2.47
Rot. Bonds6

About bis(2-bromoethoxy)-oxophosphanium

bis(2-bromoethoxy)-oxophosphanium (PubChem CID 13366419) has the molecular formula C4H8Br2O3P+ and a molecular weight of 294.89 g/mol. Its IUPAC name is bis(2-bromoethoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-bromoethoxy)-oxophosphanium
PubChem CID13366419
Molecular FormulaC4H8Br2O3P+
Molecular Weight294.89 g/mol
Exact Mass292.86
IUPAC Namebis(2-bromoethoxy)-oxophosphanium
SMILESO=[P+](OCCBr)OCCBr
InChIInChI=1S/C4H8Br2O3P/c5-1-3-8-10(7)9-4-2-6/h1-4H2/q+1
InChIKeyJPPIQZCNLSAKMR-UHFFFAOYSA-N
XLogP2.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.89
LogP ≤ 52.47
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

2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine
CID 174957638
bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium
CID 21493300
trimethyl-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium
CID 135354704
bis(2-chloroethoxy)-oxophosphanium;chloroethane
CID 88520254
3-bromopropoxy-hydroxy-oxophosphanium
CID 87515088
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
oxo(dipentoxy)phosphanium;zinc
CID 157360735
dodecoxy-octoxy-oxophosphanium
CID 154187352
butoxy-dodecoxy-oxophosphanium
CID 175103299
bis[3-(dimethylamino)propoxy]-oxophosphanium
CID 174251326

Frequently Asked Questions

What is the IUPAC name of bis(2-bromoethoxy)-oxophosphanium?
The IUPAC name of bis(2-bromoethoxy)-oxophosphanium (CID 13366419) is bis(2-bromoethoxy)-oxophosphanium.
What is the SMILES notation for bis(2-bromoethoxy)-oxophosphanium?
The canonical SMILES for bis(2-bromoethoxy)-oxophosphanium is O=[P+](OCCBr)OCCBr.
What is the InChIKey of bis(2-bromoethoxy)-oxophosphanium?
The InChIKey is JPPIQZCNLSAKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Br2O3P/c5-1-3-8-10(7)9-4-2-6/h1-4H2/q+1.
What are the key properties of bis(2-bromoethoxy)-oxophosphanium?
bis(2-bromoethoxy)-oxophosphanium has a molecular weight of 294.89 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bromoethoxy)-oxophosphanium is sourced from PubChem (CID 13366419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).