triethyl(octyl)phosphanium

C14H32P+ — CID 18769208

IUPACtriethyl(octyl)phosphanium
SMILESCCCCCCCC[P+](CC)(CC)CC
InChIInChI=1S/C14H32P/c1-5-9-10-11-12-13-14-15(6-2,7-3)8-4/h5-14H2,1-4H3/q+1
InChIKeyQCLVFLIIJODTJU-UHFFFAOYSA-N
MW231.38 g/mol
LogP5.42
Rot. Bonds10

About triethyl(octyl)phosphanium

triethyl(octyl)phosphanium (PubChem CID 18769208) has the molecular formula C14H32P+ and a molecular weight of 231.38 g/mol. Its IUPAC name is triethyl(octyl)phosphanium.

Molecular Properties

Compound Nametriethyl(octyl)phosphanium
PubChem CID18769208
Molecular FormulaC14H32P+
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Nametriethyl(octyl)phosphanium
SMILESCCCCCCCC[P+](CC)(CC)CC
InChIInChI=1S/C14H32P/c1-5-9-10-11-12-13-14-15(6-2,7-3)8-4/h5-14H2,1-4H3/q+1
InChIKeyQCLVFLIIJODTJU-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.38
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl(octyl)phosphanium?
The IUPAC name of triethyl(octyl)phosphanium (CID 18769208) is triethyl(octyl)phosphanium.
What is the SMILES notation for triethyl(octyl)phosphanium?
The canonical SMILES for triethyl(octyl)phosphanium is CCCCCCCC[P+](CC)(CC)CC.
What is the InChIKey of triethyl(octyl)phosphanium?
The InChIKey is QCLVFLIIJODTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32P/c1-5-9-10-11-12-13-14-15(6-2,7-3)8-4/h5-14H2,1-4H3/q+1.
What are the key properties of triethyl(octyl)phosphanium?
triethyl(octyl)phosphanium has a molecular weight of 231.38 g/mol, XLogP of 5.42, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(octyl)phosphanium is sourced from PubChem (CID 18769208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).