butyl(triphenyl)phosphanium;phosphane;chloride

C22H27ClP2 — CID 172806882

IUPACbutyl(triphenyl)phosphanium;phosphane;chloride
SMILESCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.P.[Cl-]
InChIInChI=1S/C22H24P.ClH.H3P/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;;/h4-18H,2-3,19H2,1H3;1H;1H3/q+1;;/p-1
InChIKeyRQBNXPQTPMPMJQ-UHFFFAOYSA-M
MW388.86 g/mol
LogP1.84
Rot. Bonds6

About butyl(triphenyl)phosphanium;phosphane;chloride

butyl(triphenyl)phosphanium;phosphane;chloride (PubChem CID 172806882) has the molecular formula C22H27ClP2 and a molecular weight of 388.86 g/mol. Its IUPAC name is butyl(triphenyl)phosphanium;phosphane;chloride.

Molecular Properties

Compound Namebutyl(triphenyl)phosphanium;phosphane;chloride
PubChem CID172806882
Molecular FormulaC22H27ClP2
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Namebutyl(triphenyl)phosphanium;phosphane;chloride
SMILESCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.P.[Cl-]
InChIInChI=1S/C22H24P.ClH.H3P/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;;/h4-18H,2-3,19H2,1H3;1H;1H3/q+1;;/p-1
InChIKeyRQBNXPQTPMPMJQ-UHFFFAOYSA-M
XLogP1.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

triphenyl(undecyl)phosphanium chloride
CID 22921220
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
nonyl(triphenyl)phosphanium;trichlorozinc(1-)
CID 19420228
triphenyl(tetradecyl)phosphanium phenoxide
CID 18356136
octyl(triphenyl)phosphanium phenoxide
CID 18355967
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
6-(4-butylphenyl)hexyl-triphenylphosphanium
CID 129304665

Frequently Asked Questions

What is the IUPAC name of butyl(triphenyl)phosphanium;phosphane;chloride?
The IUPAC name of butyl(triphenyl)phosphanium;phosphane;chloride (CID 172806882) is butyl(triphenyl)phosphanium;phosphane;chloride.
What is the SMILES notation for butyl(triphenyl)phosphanium;phosphane;chloride?
The canonical SMILES for butyl(triphenyl)phosphanium;phosphane;chloride is CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.P.[Cl-].
What is the InChIKey of butyl(triphenyl)phosphanium;phosphane;chloride?
The InChIKey is RQBNXPQTPMPMJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H24P.ClH.H3P/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;;/h4-18H,2-3,19H2,1H3;1H;1H3/q+1;;/p-1.
What are the key properties of butyl(triphenyl)phosphanium;phosphane;chloride?
butyl(triphenyl)phosphanium;phosphane;chloride has a molecular weight of 388.86 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(triphenyl)phosphanium;phosphane;chloride is sourced from PubChem (CID 172806882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).