butyl(triheptyl)phosphanium

C25H54P+ — CID 87777247

IUPACbutyl(triheptyl)phosphanium
SMILESCCCCCCC[P+](CCCC)(CCCCCCC)CCCCCCC
InChIInChI=1S/C25H54P/c1-5-9-13-16-19-23-26(22-12-8-4,24-20-17-14-10-6-2)25-21-18-15-11-7-3/h5-25H2,1-4H3/q+1
InChIKeyHXYJYPDOAWAJIJ-UHFFFAOYSA-N
MW385.68 g/mol
LogP9.72
Rot. Bonds21

About butyl(triheptyl)phosphanium

butyl(triheptyl)phosphanium (PubChem CID 87777247) has the molecular formula C25H54P+ and a molecular weight of 385.68 g/mol. Its IUPAC name is butyl(triheptyl)phosphanium.

Molecular Properties

Compound Namebutyl(triheptyl)phosphanium
PubChem CID87777247
Molecular FormulaC25H54P+
Molecular Weight385.68 g/mol
Exact Mass385.40
IUPAC Namebutyl(triheptyl)phosphanium
SMILESCCCCCCC[P+](CCCC)(CCCCCCC)CCCCCCC
InChIInChI=1S/C25H54P/c1-5-9-13-16-19-23-26(22-12-8-4,24-20-17-14-10-6-2)25-21-18-15-11-7-3/h5-25H2,1-4H3/q+1
InChIKeyHXYJYPDOAWAJIJ-UHFFFAOYSA-N
XLogP9.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 59.72
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

tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
dibutyl(didecyl)phosphanium chloride
CID 87777295
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209
azane;tributyl(hexadecyl)phosphanium
CID 172712894
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
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
heptyl-tri(tetradecyl)phosphanium
CID 87807444

Frequently Asked Questions

What is the IUPAC name of butyl(triheptyl)phosphanium?
The IUPAC name of butyl(triheptyl)phosphanium (CID 87777247) is butyl(triheptyl)phosphanium.
What is the SMILES notation for butyl(triheptyl)phosphanium?
The canonical SMILES for butyl(triheptyl)phosphanium is CCCCCCC[P+](CCCC)(CCCCCCC)CCCCCCC.
What is the InChIKey of butyl(triheptyl)phosphanium?
The InChIKey is HXYJYPDOAWAJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54P/c1-5-9-13-16-19-23-26(22-12-8-4,24-20-17-14-10-6-2)25-21-18-15-11-7-3/h5-25H2,1-4H3/q+1.
What are the key properties of butyl(triheptyl)phosphanium?
butyl(triheptyl)phosphanium has a molecular weight of 385.68 g/mol, XLogP of 9.72, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(triheptyl)phosphanium is sourced from PubChem (CID 87777247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).