oxo-bis(3,3,3-trichloropropoxy)phosphanium

C6H8Cl6O3P+ — CID 57140959

IUPACoxo-bis(3,3,3-trichloropropoxy)phosphanium
SMILESO=[P+](OCCC(Cl)(Cl)Cl)OCCC(Cl)(Cl)Cl
InChIInChI=1S/C6H8Cl6O3P/c7-5(8,9)1-3-14-16(13)15-4-2-6(10,11)12/h1-4H2/q+1
InChIKeyKJSOJSCVPSOKEV-UHFFFAOYSA-N
MW371.82 g/mol
LogP5.20
Rot. Bonds6

About oxo-bis(3,3,3-trichloropropoxy)phosphanium

oxo-bis(3,3,3-trichloropropoxy)phosphanium (PubChem CID 57140959) has the molecular formula C6H8Cl6O3P+ and a molecular weight of 371.82 g/mol. Its IUPAC name is oxo-bis(3,3,3-trichloropropoxy)phosphanium.

Molecular Properties

Compound Nameoxo-bis(3,3,3-trichloropropoxy)phosphanium
PubChem CID57140959
Molecular FormulaC6H8Cl6O3P+
Molecular Weight371.82 g/mol
Exact Mass368.83
IUPAC Nameoxo-bis(3,3,3-trichloropropoxy)phosphanium
SMILESO=[P+](OCCC(Cl)(Cl)Cl)OCCC(Cl)(Cl)Cl
InChIInChI=1S/C6H8Cl6O3P/c7-5(8,9)1-3-14-16(13)15-4-2-6(10,11)12/h1-4H2/q+1
InChIKeyKJSOJSCVPSOKEV-UHFFFAOYSA-N
XLogP5.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.82
LogP ≤ 55.20
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 oxo-bis(3,3,3-trichloropropoxy)phosphanium?
The IUPAC name of oxo-bis(3,3,3-trichloropropoxy)phosphanium (CID 57140959) is oxo-bis(3,3,3-trichloropropoxy)phosphanium.
What is the SMILES notation for oxo-bis(3,3,3-trichloropropoxy)phosphanium?
The canonical SMILES for oxo-bis(3,3,3-trichloropropoxy)phosphanium is O=[P+](OCCC(Cl)(Cl)Cl)OCCC(Cl)(Cl)Cl.
What is the InChIKey of oxo-bis(3,3,3-trichloropropoxy)phosphanium?
The InChIKey is KJSOJSCVPSOKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl6O3P/c7-5(8,9)1-3-14-16(13)15-4-2-6(10,11)12/h1-4H2/q+1.
What are the key properties of oxo-bis(3,3,3-trichloropropoxy)phosphanium?
oxo-bis(3,3,3-trichloropropoxy)phosphanium has a molecular weight of 371.82 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(3,3,3-trichloropropoxy)phosphanium is sourced from PubChem (CID 57140959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).