butyl-dioctyl-propylphosphanium

C23H50P+ — CID 87508429

IUPACbutyl-dioctyl-propylphosphanium
SMILESCCCCCCCC[P+](CCC)(CCCC)CCCCCCCC
InChIInChI=1S/C23H50P/c1-5-9-12-14-16-18-22-24(20-8-4,21-11-7-3)23-19-17-15-13-10-6-2/h5-23H2,1-4H3/q+1
InChIKeyWPAOKEJJMMJWNJ-UHFFFAOYSA-N
MW357.63 g/mol
LogP8.94
Rot. Bonds19

About butyl-dioctyl-propylphosphanium

butyl-dioctyl-propylphosphanium (PubChem CID 87508429) has the molecular formula C23H50P+ and a molecular weight of 357.63 g/mol. Its IUPAC name is butyl-dioctyl-propylphosphanium.

Molecular Properties

Compound Namebutyl-dioctyl-propylphosphanium
PubChem CID87508429
Molecular FormulaC23H50P+
Molecular Weight357.63 g/mol
Exact Mass357.36
IUPAC Namebutyl-dioctyl-propylphosphanium
SMILESCCCCCCCC[P+](CCC)(CCCC)CCCCCCCC
InChIInChI=1S/C23H50P/c1-5-9-12-14-16-18-22-24(20-8-4,21-11-7-3)23-19-17-15-13-10-6-2/h5-23H2,1-4H3/q+1
InChIKeyWPAOKEJJMMJWNJ-UHFFFAOYSA-N
XLogP8.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.63
LogP ≤ 58.94
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-pentyl-propylphosphanium
CID 87507891
heptyl-pentyl-dipropylphosphanium
CID 87507955
dioctyl(dipropyl)phosphanium bromide
CID 87778795
octadecyl(tripropyl)phosphanium chloride
CID 87778623
tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
butyl(triheptyl)phosphanium
CID 87777247
dibutyl(didecyl)phosphanium chloride
CID 87777295
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209
azane;tributyl(hexadecyl)phosphanium
CID 172712894
tripentyl(propyl)phosphanium bromide
CID 87779046
tributyl(pentadecyl)phosphanium bromide
CID 86639781

Frequently Asked Questions

What is the IUPAC name of butyl-dioctyl-propylphosphanium?
The IUPAC name of butyl-dioctyl-propylphosphanium (CID 87508429) is butyl-dioctyl-propylphosphanium.
What is the SMILES notation for butyl-dioctyl-propylphosphanium?
The canonical SMILES for butyl-dioctyl-propylphosphanium is CCCCCCCC[P+](CCC)(CCCC)CCCCCCCC.
What is the InChIKey of butyl-dioctyl-propylphosphanium?
The InChIKey is WPAOKEJJMMJWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50P/c1-5-9-12-14-16-18-22-24(20-8-4,21-11-7-3)23-19-17-15-13-10-6-2/h5-23H2,1-4H3/q+1.
What are the key properties of butyl-dioctyl-propylphosphanium?
butyl-dioctyl-propylphosphanium has a molecular weight of 357.63 g/mol, XLogP of 8.94, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dioctyl-propylphosphanium is sourced from PubChem (CID 87508429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).