tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium

C20H33ClP+ — CID 102390527

IUPACtributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium
SMILESCCCC[P+](/C=C/c1ccc(Cl)cc1)(CCCC)CCCC
InChIInChI=1S/C20H33ClP/c1-4-7-15-22(16-8-5-2,17-9-6-3)18-14-19-10-12-20(21)13-11-19/h10-14,18H,4-9,15-17H2,1-3H3/q+1/b18-14+
InChIKeyLJTOZOGBBVPBFU-NBVRZTHBSA-N
MW339.91 g/mol
LogP7.73
Rot. Bonds11

About tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium

tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium (PubChem CID 102390527) has the molecular formula C20H33ClP+ and a molecular weight of 339.91 g/mol. Its IUPAC name is tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium.

Molecular Properties

Compound Nametributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium
PubChem CID102390527
Molecular FormulaC20H33ClP+
Molecular Weight339.91 g/mol
Exact Mass339.20
IUPAC Nametributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium
SMILESCCCC[P+](/C=C/c1ccc(Cl)cc1)(CCCC)CCCC
InChIInChI=1S/C20H33ClP/c1-4-7-15-22(16-8-5-2,17-9-6-3)18-14-19-10-12-20(21)13-11-19/h10-14,18H,4-9,15-17H2,1-3H3/q+1/b18-14+
InChIKeyLJTOZOGBBVPBFU-NBVRZTHBSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.91
LogP ≤ 57.73
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

1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene
CID 138964218
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
CID 71334740
1-chloro-4-[(E)-3-(4-chlorophenyl)but-1-enyl]benzene
CID 11425891
1-chloropentyl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 175440268
(E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine
CID 103092390
4-(4-chlorophenyl)but-3-en-2-amine
CID 67270933
(E)-4-(4-chlorophenyl)but-3-en-2-ol
CID 11019514
ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybut-3-enoate
CID 71416635
1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine
CID 92541995
(E)-N-(1-aminohexan-2-yl)-2-(4-chlorophenyl)ethenesulfonamide
CID 80698391
1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene
CID 134953023
1-butyl-3-[5-(4-chlorophenyl)-1,3-dihydroxypent-4-en-2-yl]urea
CID 142667081

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium?
The IUPAC name of tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium (CID 102390527) is tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium.
What is the SMILES notation for tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium?
The canonical SMILES for tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium is CCCC[P+](/C=C/c1ccc(Cl)cc1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium?
The InChIKey is LJTOZOGBBVPBFU-NBVRZTHBSA-N. The full InChI is InChI=1S/C20H33ClP/c1-4-7-15-22(16-8-5-2,17-9-6-3)18-14-19-10-12-20(21)13-11-19/h10-14,18H,4-9,15-17H2,1-3H3/q+1/b18-14+.
What are the key properties of tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium?
tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium has a molecular weight of 339.91 g/mol, XLogP of 7.73, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium is sourced from PubChem (CID 102390527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).