triheptyl(nonyl)phosphanium chloride

C30H64ClP — CID 87778209

IUPACtriheptyl(nonyl)phosphanium chloride
SMILESCCCCCCCCC[P+](CCCCCCC)(CCCCCCC)CCCCCCC.[Cl-]
InChIInChI=1S/C30H64P.ClH/c1-5-9-13-17-18-22-26-30-31(27-23-19-14-10-6-2,28-24-20-15-11-7-3)29-25-21-16-12-8-4;/h5-30H2,1-4H3;1H/q+1;/p-1
InChIKeyLTHLZWMHODSRFA-UHFFFAOYSA-M
MW491.27 g/mol
LogP8.67
Rot. Bonds26

About triheptyl(nonyl)phosphanium chloride

triheptyl(nonyl)phosphanium chloride (PubChem CID 87778209) has the molecular formula C30H64ClP and a molecular weight of 491.27 g/mol. Its IUPAC name is triheptyl(nonyl)phosphanium chloride.

Molecular Properties

Compound Nametriheptyl(nonyl)phosphanium chloride
PubChem CID87778209
Molecular FormulaC30H64ClP
Molecular Weight491.27 g/mol
Exact Mass490.44
IUPAC Nametriheptyl(nonyl)phosphanium chloride
SMILESCCCCCCCCC[P+](CCCCCCC)(CCCCCCC)CCCCCCC.[Cl-]
InChIInChI=1S/C30H64P.ClH/c1-5-9-13-17-18-22-26-30-31(27-23-19-14-10-6-2,28-24-20-15-11-7-3)29-25-21-16-12-8-4;/h5-30H2,1-4H3;1H/q+1;/p-1
InChIKeyLTHLZWMHODSRFA-UHFFFAOYSA-M
XLogP8.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.27
LogP ≤ 58.67
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

dibutyl(didecyl)phosphanium chloride
CID 87777295
CID 11678181
CID 11678181
heptyl-tri(tetradecyl)phosphanium
CID 87807444
tri(nonyl)-octylphosphanium
CID 87811687
tri(nonadecyl)-undecylphosphanium
CID 87808807
tri(heptadecyl)-pentadecylphosphanium
CID 87810198
heptyl-tri(undecyl)phosphanium
CID 87895668
dodecyl-tri(tetradecyl)phosphanium
CID 87807387
dihexyl(dioctyl)phosphanium
CID 87323731
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
tridodecyl(heptyl)phosphanium
CID 87810947
trioctyl(undecyl)phosphanium
CID 87776674

Frequently Asked Questions

What is the IUPAC name of triheptyl(nonyl)phosphanium chloride?
The IUPAC name of triheptyl(nonyl)phosphanium chloride (CID 87778209) is triheptyl(nonyl)phosphanium chloride.
What is the SMILES notation for triheptyl(nonyl)phosphanium chloride?
The canonical SMILES for triheptyl(nonyl)phosphanium chloride is CCCCCCCCC[P+](CCCCCCC)(CCCCCCC)CCCCCCC.[Cl-].
What is the InChIKey of triheptyl(nonyl)phosphanium chloride?
The InChIKey is LTHLZWMHODSRFA-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H64P.ClH/c1-5-9-13-17-18-22-26-30-31(27-23-19-14-10-6-2,28-24-20-15-11-7-3)29-25-21-16-12-8-4;/h5-30H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triheptyl(nonyl)phosphanium chloride?
triheptyl(nonyl)phosphanium chloride has a molecular weight of 491.27 g/mol, XLogP of 8.67, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triheptyl(nonyl)phosphanium chloride is sourced from PubChem (CID 87778209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).