diethyl-di(tetradecyl)phosphanium bromide

C32H68BrP — CID 87778577

IUPACdiethyl-di(tetradecyl)phosphanium bromide
SMILESCCCCCCCCCCCCCC[P+](CC)(CC)CCCCCCCCCCCCCC.[Br-]
InChIInChI=1S/C32H68P.BrH/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33(7-3,8-4)32-30-28-26-24-22-20-18-16-14-12-10-6-2;/h5-32H2,1-4H3;1H/q+1;/p-1
InChIKeyBESVFCMSZMLBPQ-UHFFFAOYSA-M
MW563.77 g/mol
LogP9.45
Rot. Bonds28

About diethyl-di(tetradecyl)phosphanium bromide

diethyl-di(tetradecyl)phosphanium bromide (PubChem CID 87778577) has the molecular formula C32H68BrP and a molecular weight of 563.77 g/mol. Its IUPAC name is diethyl-di(tetradecyl)phosphanium bromide.

Molecular Properties

Compound Namediethyl-di(tetradecyl)phosphanium bromide
PubChem CID87778577
Molecular FormulaC32H68BrP
Molecular Weight563.77 g/mol
Exact Mass562.42
IUPAC Namediethyl-di(tetradecyl)phosphanium bromide
SMILESCCCCCCCCCCCCCC[P+](CC)(CC)CCCCCCCCCCCCCC.[Br-]
InChIInChI=1S/C32H68P.BrH/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33(7-3,8-4)32-30-28-26-24-22-20-18-16-14-12-10-6-2;/h5-32H2,1-4H3;1H/q+1;/p-1
InChIKeyBESVFCMSZMLBPQ-UHFFFAOYSA-M
XLogP9.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.77
LogP ≤ 59.45
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

didecyl(diethyl)phosphanium
CID 87777324
diethyl(dihexyl)phosphanium
CID 22000710
butyl-diethyl-hexylphosphanium
CID 87509146
triethyl(octyl)phosphanium
CID 18769208
butyl-ethyl-dioctylphosphanium
CID 87508514
ethyl-hexyl-dipropylphosphanium
CID 87508300
tributyl(pentadecyl)phosphanium bromide
CID 86639781
heptyl-tri(undecyl)phosphanium
CID 87895668
tridodecyl(heptyl)phosphanium
CID 87810947
tri(heptadecyl)-pentadecylphosphanium
CID 87810198
trioctyl(undecyl)phosphanium
CID 87776674
heptyl-tri(tetradecyl)phosphanium
CID 87807444

Frequently Asked Questions

What is the IUPAC name of diethyl-di(tetradecyl)phosphanium bromide?
The IUPAC name of diethyl-di(tetradecyl)phosphanium bromide (CID 87778577) is diethyl-di(tetradecyl)phosphanium bromide.
What is the SMILES notation for diethyl-di(tetradecyl)phosphanium bromide?
The canonical SMILES for diethyl-di(tetradecyl)phosphanium bromide is CCCCCCCCCCCCCC[P+](CC)(CC)CCCCCCCCCCCCCC.[Br-].
What is the InChIKey of diethyl-di(tetradecyl)phosphanium bromide?
The InChIKey is BESVFCMSZMLBPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H68P.BrH/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33(7-3,8-4)32-30-28-26-24-22-20-18-16-14-12-10-6-2;/h5-32H2,1-4H3;1H/q+1;/p-1.
What are the key properties of diethyl-di(tetradecyl)phosphanium bromide?
diethyl-di(tetradecyl)phosphanium bromide has a molecular weight of 563.77 g/mol, XLogP of 9.45, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-di(tetradecyl)phosphanium bromide is sourced from PubChem (CID 87778577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).