tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide

C21H36BrP — CID 22119369

IUPACtributyl-[(4-ethenylphenyl)methyl]phosphanium bromide
SMILESC=Cc1ccc(C[P+](CCCC)(CCCC)CCCC)cc1.[Br-]
InChIInChI=1S/C21H36P.BrH/c1-5-9-16-22(17-10-6-2,18-11-7-3)19-21-14-12-20(8-4)13-15-21;/h8,12-15H,4-7,9-11,16-19H2,1-3H3;1H/q+1;/p-1
InChIKeyRKOAUHPPWSHPIQ-UHFFFAOYSA-M
MW399.40 g/mol
LogP4.25
Rot. Bonds12

About tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide

tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide (PubChem CID 22119369) has the molecular formula C21H36BrP and a molecular weight of 399.40 g/mol. Its IUPAC name is tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide.

Molecular Properties

Compound Nametributyl-[(4-ethenylphenyl)methyl]phosphanium bromide
PubChem CID22119369
Molecular FormulaC21H36BrP
Molecular Weight399.40 g/mol
Exact Mass398.17
IUPAC Nametributyl-[(4-ethenylphenyl)methyl]phosphanium bromide
SMILESC=Cc1ccc(C[P+](CCCC)(CCCC)CCCC)cc1.[Br-]
InChIInChI=1S/C21H36P.BrH/c1-5-9-16-22(17-10-6-2,18-11-7-3)19-21-14-12-20(8-4)13-15-21;/h8,12-15H,4-7,9-11,16-19H2,1-3H3;1H/q+1;/p-1
InChIKeyRKOAUHPPWSHPIQ-UHFFFAOYSA-M
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.25
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

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CID 160536967
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1-ethenyl-4-hexylbenzene
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benzyl-dec-9-enyl-dioctylphosphanium
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tributyl-[(4-trimethoxysilylphenyl)methyl]phosphanium
CID 102183330
N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine
CID 14420666
ethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride
CID 175426903
N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine
CID 14420661
1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole
CID 67099672
1-ethenyl-4-(2-methylbutyl)benzene
CID 22475803
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CID 69022756
tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium
CID 71377578

Frequently Asked Questions

What is the IUPAC name of tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide?
The IUPAC name of tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide (CID 22119369) is tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide.
What is the SMILES notation for tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide?
The canonical SMILES for tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide is C=Cc1ccc(C[P+](CCCC)(CCCC)CCCC)cc1.[Br-].
What is the InChIKey of tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide?
The InChIKey is RKOAUHPPWSHPIQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H36P.BrH/c1-5-9-16-22(17-10-6-2,18-11-7-3)19-21-14-12-20(8-4)13-15-21;/h8,12-15H,4-7,9-11,16-19H2,1-3H3;1H/q+1;/p-1.
What are the key properties of tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide?
tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide has a molecular weight of 399.40 g/mol, XLogP of 4.25, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide is sourced from PubChem (CID 22119369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).