ethyl(tripentyl)phosphanium tetrafluoroborate

C17H38BF4P — CID 18769296

IUPACethyl(tripentyl)phosphanium tetrafluoroborate
SMILESCCCCC[P+](CC)(CCCCC)CCCCC.F[B-](F)(F)F
InChIInChI=1S/C17H38P.BF4/c1-5-9-12-15-18(8-4,16-13-10-6-2)17-14-11-7-3;2-1(3,4)5/h5-17H2,1-4H3;/q+1;-1
InChIKeyQNTNKTNMOHCMCX-UHFFFAOYSA-N
MW360.27 g/mol
LogP7.89
Rot. Bonds13

About ethyl(tripentyl)phosphanium tetrafluoroborate

ethyl(tripentyl)phosphanium tetrafluoroborate (PubChem CID 18769296) has the molecular formula C17H38BF4P and a molecular weight of 360.27 g/mol. Its IUPAC name is ethyl(tripentyl)phosphanium tetrafluoroborate.

Molecular Properties

Compound Nameethyl(tripentyl)phosphanium tetrafluoroborate
PubChem CID18769296
Molecular FormulaC17H38BF4P
Molecular Weight360.27 g/mol
Exact Mass360.27
IUPAC Nameethyl(tripentyl)phosphanium tetrafluoroborate
SMILESCCCCC[P+](CC)(CCCCC)CCCCC.F[B-](F)(F)F
InChIInChI=1S/C17H38P.BF4/c1-5-9-12-15-18(8-4,16-13-10-6-2)17-14-11-7-3;2-1(3,4)5/h5-17H2,1-4H3;/q+1;-1
InChIKeyQNTNKTNMOHCMCX-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.27
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl-ethyl-dioctylphosphanium
CID 87508514
ethyl-hexyl-dipropylphosphanium
CID 87508300
triethyl(octyl)phosphanium
CID 18769208
didecyl(diethyl)phosphanium
CID 87777324
diethyl(dihexyl)phosphanium
CID 22000710
butyl-diethyl-hexylphosphanium
CID 87509146
diethyl-di(tetradecyl)phosphanium bromide
CID 87778577
azanium;tetrabutylphosphanium;tetrafluoroborate
CID 175245992
tributyl(ethyl)phosphanium;yttrium
CID 157495061
tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate
CID 140553355
tripentyl(tridecyl)phosphanium
CID 87194414
trioctyl(undecyl)phosphanium
CID 87776674

Frequently Asked Questions

What is the IUPAC name of ethyl(tripentyl)phosphanium tetrafluoroborate?
The IUPAC name of ethyl(tripentyl)phosphanium tetrafluoroborate (CID 18769296) is ethyl(tripentyl)phosphanium tetrafluoroborate.
What is the SMILES notation for ethyl(tripentyl)phosphanium tetrafluoroborate?
The canonical SMILES for ethyl(tripentyl)phosphanium tetrafluoroborate is CCCCC[P+](CC)(CCCCC)CCCCC.F[B-](F)(F)F.
What is the InChIKey of ethyl(tripentyl)phosphanium tetrafluoroborate?
The InChIKey is QNTNKTNMOHCMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38P.BF4/c1-5-9-12-15-18(8-4,16-13-10-6-2)17-14-11-7-3;2-1(3,4)5/h5-17H2,1-4H3;/q+1;-1.
What are the key properties of ethyl(tripentyl)phosphanium tetrafluoroborate?
ethyl(tripentyl)phosphanium tetrafluoroborate has a molecular weight of 360.27 g/mol, XLogP of 7.89, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(tripentyl)phosphanium tetrafluoroborate is sourced from PubChem (CID 18769296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).