butyl-ethyl-dioctylphosphanium

C22H48P+ — CID 87508514

IUPACbutyl-ethyl-dioctylphosphanium
SMILESCCCCCCCC[P+](CC)(CCCC)CCCCCCCC
InChIInChI=1S/C22H48P/c1-5-9-12-14-16-18-21-23(8-4,20-11-7-3)22-19-17-15-13-10-6-2/h5-22H2,1-4H3/q+1
InChIKeyRYFCSEOQXNDXEC-UHFFFAOYSA-N
MW343.60 g/mol
LogP8.55
Rot. Bonds18

About butyl-ethyl-dioctylphosphanium

butyl-ethyl-dioctylphosphanium (PubChem CID 87508514) has the molecular formula C22H48P+ and a molecular weight of 343.60 g/mol. Its IUPAC name is butyl-ethyl-dioctylphosphanium.

Molecular Properties

Compound Namebutyl-ethyl-dioctylphosphanium
PubChem CID87508514
Molecular FormulaC22H48P+
Molecular Weight343.60 g/mol
Exact Mass343.35
IUPAC Namebutyl-ethyl-dioctylphosphanium
SMILESCCCCCCCC[P+](CC)(CCCC)CCCCCCCC
InChIInChI=1S/C22H48P/c1-5-9-12-14-16-18-21-23(8-4,20-11-7-3)22-19-17-15-13-10-6-2/h5-22H2,1-4H3/q+1
InChIKeyRYFCSEOQXNDXEC-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
LogP ≤ 58.55
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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Related Compounds

butyl-diethyl-hexylphosphanium
CID 87509146
ethyl-hexyl-dipropylphosphanium
CID 87508300
triethyl(octyl)phosphanium
CID 18769208
didecyl(diethyl)phosphanium
CID 87777324
diethyl(dihexyl)phosphanium
CID 22000710
diethyl-di(tetradecyl)phosphanium bromide
CID 87778577
tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
butyl(triheptyl)phosphanium
CID 87777247
tributyl(ethyl)phosphanium;yttrium
CID 157495061
dibutyl(didecyl)phosphanium chloride
CID 87777295
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209

Frequently Asked Questions

What is the IUPAC name of butyl-ethyl-dioctylphosphanium?
The IUPAC name of butyl-ethyl-dioctylphosphanium (CID 87508514) is butyl-ethyl-dioctylphosphanium.
What is the SMILES notation for butyl-ethyl-dioctylphosphanium?
The canonical SMILES for butyl-ethyl-dioctylphosphanium is CCCCCCCC[P+](CC)(CCCC)CCCCCCCC.
What is the InChIKey of butyl-ethyl-dioctylphosphanium?
The InChIKey is RYFCSEOQXNDXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48P/c1-5-9-12-14-16-18-21-23(8-4,20-11-7-3)22-19-17-15-13-10-6-2/h5-22H2,1-4H3/q+1.
What are the key properties of butyl-ethyl-dioctylphosphanium?
butyl-ethyl-dioctylphosphanium has a molecular weight of 343.60 g/mol, XLogP of 8.55, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethyl-dioctylphosphanium is sourced from PubChem (CID 87508514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).