tridodecyl(heptyl)phosphanium

C43H90P+ — CID 87810947

IUPACtridodecyl(heptyl)phosphanium
SMILESCCCCCCCCCCCC[P+](CCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C43H90P/c1-5-9-13-17-20-23-26-29-33-37-41-44(40-36-32-16-12-8-4,42-38-34-30-27-24-21-18-14-10-6-2)43-39-35-31-28-25-22-19-15-11-7-3/h5-43H2,1-4H3/q+1
InChIKeyYGCZVXSASMDTMX-UHFFFAOYSA-N
MW638.17 g/mol
LogP16.74
Rot. Bonds39

About tridodecyl(heptyl)phosphanium

tridodecyl(heptyl)phosphanium (PubChem CID 87810947) has the molecular formula C43H90P+ and a molecular weight of 638.17 g/mol. Its IUPAC name is tridodecyl(heptyl)phosphanium.

Molecular Properties

Compound Nametridodecyl(heptyl)phosphanium
PubChem CID87810947
Molecular FormulaC43H90P+
Molecular Weight638.17 g/mol
Exact Mass637.68
IUPAC Nametridodecyl(heptyl)phosphanium
SMILESCCCCCCCCCCCC[P+](CCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C43H90P/c1-5-9-13-17-20-23-26-29-33-37-41-44(40-36-32-16-12-8-4,42-38-34-30-27-24-21-18-14-10-6-2)43-39-35-31-28-25-22-19-15-11-7-3/h5-43H2,1-4H3/q+1
InChIKeyYGCZVXSASMDTMX-UHFFFAOYSA-N
XLogP16.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds39
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.17
LogP ≤ 516.74
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'}

Analyze tridodecyl(heptyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tri(heptadecyl)-pentadecylphosphanium
CID 87810198
heptyl-tri(undecyl)phosphanium
CID 87895668
tri(nonadecyl)-undecylphosphanium
CID 87808807
heptyl-tri(tetradecyl)phosphanium
CID 87807444
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
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 tridodecyl(heptyl)phosphanium?
The IUPAC name of tridodecyl(heptyl)phosphanium (CID 87810947) is tridodecyl(heptyl)phosphanium.
What is the SMILES notation for tridodecyl(heptyl)phosphanium?
The canonical SMILES for tridodecyl(heptyl)phosphanium is CCCCCCCCCCCC[P+](CCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of tridodecyl(heptyl)phosphanium?
The InChIKey is YGCZVXSASMDTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H90P/c1-5-9-13-17-20-23-26-29-33-37-41-44(40-36-32-16-12-8-4,42-38-34-30-27-24-21-18-14-10-6-2)43-39-35-31-28-25-22-19-15-11-7-3/h5-43H2,1-4H3/q+1.
What are the key properties of tridodecyl(heptyl)phosphanium?
tridodecyl(heptyl)phosphanium has a molecular weight of 638.17 g/mol, XLogP of 16.74, 39 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tridodecyl(heptyl)phosphanium is sourced from PubChem (CID 87810947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).