azane;tributyl(hexadecyl)phosphanium

C28H63NP+ — CID 172712894

IUPACazane;tributyl(hexadecyl)phosphanium
SMILESCCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.N
InChIInChI=1S/C28H60P.H3N/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H3/q+1;
InChIKeyFMBHCBGNBUNBCM-UHFFFAOYSA-N
MW444.79 g/mol
LogP11.05
Rot. Bonds24

About azane;tributyl(hexadecyl)phosphanium

azane;tributyl(hexadecyl)phosphanium (PubChem CID 172712894) has the molecular formula C28H63NP+ and a molecular weight of 444.79 g/mol. Its IUPAC name is azane;tributyl(hexadecyl)phosphanium.

Molecular Properties

Compound Nameazane;tributyl(hexadecyl)phosphanium
PubChem CID172712894
Molecular FormulaC28H63NP+
Molecular Weight444.79 g/mol
Exact Mass444.47
IUPAC Nameazane;tributyl(hexadecyl)phosphanium
SMILESCCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.N
InChIInChI=1S/C28H60P.H3N/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H3/q+1;
InChIKeyFMBHCBGNBUNBCM-UHFFFAOYSA-N
XLogP11.05
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.79
LogP ≤ 511.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
butyl(triheptyl)phosphanium
CID 87777247
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209
dibutyl(didecyl)phosphanium chloride
CID 87777295
tributyl(pentadecyl)phosphanium bromide
CID 86639781
antimony(3+);tributyl(dodecyl)phosphanium
CID 158196922
dibutyl(didecyl)phosphanium iodide
CID 87776919
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
heptyl-tri(undecyl)phosphanium
CID 87895668
nonyl-tri(pentadecyl)phosphanium
CID 87807671
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708

Frequently Asked Questions

What is the IUPAC name of azane;tributyl(hexadecyl)phosphanium?
The IUPAC name of azane;tributyl(hexadecyl)phosphanium (CID 172712894) is azane;tributyl(hexadecyl)phosphanium.
What is the SMILES notation for azane;tributyl(hexadecyl)phosphanium?
The canonical SMILES for azane;tributyl(hexadecyl)phosphanium is CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.N.
What is the InChIKey of azane;tributyl(hexadecyl)phosphanium?
The InChIKey is FMBHCBGNBUNBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60P.H3N/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H3/q+1;.
What are the key properties of azane;tributyl(hexadecyl)phosphanium?
azane;tributyl(hexadecyl)phosphanium has a molecular weight of 444.79 g/mol, XLogP of 11.05, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tributyl(hexadecyl)phosphanium is sourced from PubChem (CID 172712894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).