heptyl-tri(tetradecyl)phosphanium

C49H102P+ — CID 87807444

IUPACheptyl-tri(tetradecyl)phosphanium
SMILESCCCCCCCCCCCCCC[P+](CCCCCCC)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C49H102P/c1-5-9-13-17-20-23-26-29-32-35-39-43-47-50(46-42-38-16-12-8-4,48-44-40-36-33-30-27-24-21-18-14-10-6-2)49-45-41-37-34-31-28-25-22-19-15-11-7-3/h5-49H2,1-4H3/q+1
InChIKeyLVSVNRMYXHBXFE-UHFFFAOYSA-N
MW722.33 g/mol
LogP19.08
Rot. Bonds45

About heptyl-tri(tetradecyl)phosphanium

heptyl-tri(tetradecyl)phosphanium (PubChem CID 87807444) has the molecular formula C49H102P+ and a molecular weight of 722.33 g/mol. Its IUPAC name is heptyl-tri(tetradecyl)phosphanium.

Molecular Properties

Compound Nameheptyl-tri(tetradecyl)phosphanium
PubChem CID87807444
Molecular FormulaC49H102P+
Molecular Weight722.33 g/mol
Exact Mass721.77
IUPAC Nameheptyl-tri(tetradecyl)phosphanium
SMILESCCCCCCCCCCCCCC[P+](CCCCCCC)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C49H102P/c1-5-9-13-17-20-23-26-29-32-35-39-43-47-50(46-42-38-16-12-8-4,48-44-40-36-33-30-27-24-21-18-14-10-6-2)49-45-41-37-34-31-28-25-22-19-15-11-7-3/h5-49H2,1-4H3/q+1
InChIKeyLVSVNRMYXHBXFE-UHFFFAOYSA-N
XLogP19.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds45
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.33
LogP ≤ 519.08
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

tri(heptadecyl)-pentadecylphosphanium
CID 87810198
heptyl-tri(undecyl)phosphanium
CID 87895668
tri(nonadecyl)-undecylphosphanium
CID 87808807
tri(nonyl)-octylphosphanium
CID 87811687
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
tripentyl(tridecyl)phosphanium
CID 87194414
nonyl-tri(pentadecyl)phosphanium
CID 87807671
butyl(triheptyl)phosphanium
CID 87777247

Frequently Asked Questions

What is the IUPAC name of heptyl-tri(tetradecyl)phosphanium?
The IUPAC name of heptyl-tri(tetradecyl)phosphanium (CID 87807444) is heptyl-tri(tetradecyl)phosphanium.
What is the SMILES notation for heptyl-tri(tetradecyl)phosphanium?
The canonical SMILES for heptyl-tri(tetradecyl)phosphanium is CCCCCCCCCCCCCC[P+](CCCCCCC)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.
What is the InChIKey of heptyl-tri(tetradecyl)phosphanium?
The InChIKey is LVSVNRMYXHBXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H102P/c1-5-9-13-17-20-23-26-29-32-35-39-43-47-50(46-42-38-16-12-8-4,48-44-40-36-33-30-27-24-21-18-14-10-6-2)49-45-41-37-34-31-28-25-22-19-15-11-7-3/h5-49H2,1-4H3/q+1.
What are the key properties of heptyl-tri(tetradecyl)phosphanium?
heptyl-tri(tetradecyl)phosphanium has a molecular weight of 722.33 g/mol, XLogP of 19.08, 45 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl-tri(tetradecyl)phosphanium is sourced from PubChem (CID 87807444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).