tributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride

C24H50ClP — CID 21245666

IUPACtributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride
SMILESCCCC[P+](C/C=C/CC(C)(C)CC(C)(C)C)(CCCC)CCCC.[Cl-]
InChIInChI=1S/C24H50P.ClH/c1-9-12-18-25(19-13-10-2,20-14-11-3)21-16-15-17-24(7,8)22-23(4,5)6;/h15-16H,9-14,17-22H2,1-8H3;1H/q+1;/p-1/b16-15+;
InChIKeyIOGUBSKKKJGLTH-GEEYTBSJSA-M
MW405.09 g/mol
LogP5.82
Rot. Bonds14

About tributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride

tributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride (PubChem CID 21245666) has the molecular formula C24H50ClP and a molecular weight of 405.09 g/mol. Its IUPAC name is tributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride.

Molecular Properties

Compound Nametributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride
PubChem CID21245666
Molecular FormulaC24H50ClP
Molecular Weight405.09 g/mol
Exact Mass404.33
IUPAC Nametributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride
SMILESCCCC[P+](C/C=C/CC(C)(C)CC(C)(C)C)(CCCC)CCCC.[Cl-]
InChIInChI=1S/C24H50P.ClH/c1-9-12-18-25(19-13-10-2,20-14-11-3)21-16-15-17-24(7,8)22-23(4,5)6;/h15-16H,9-14,17-22H2,1-8H3;1H/q+1;/p-1/b16-15+;
InChIKeyIOGUBSKKKJGLTH-GEEYTBSJSA-M
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.09
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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azane;tetrabutylphosphanium;chloride;hydrochloride
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tetrabutylphosphanium;tin(4+)
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dibutyl(didecyl)phosphanium chloride
CID 87777295
azane;tributyl(hexadecyl)phosphanium
CID 172712894
tributyl(3-methylbut-2-enyl)phosphanium bromide
CID 25023490
2,2,4,4,6,8,8-heptamethylnonane;hexadecane
CID 162121886
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
stibane;tetrabutylphosphanium;hexahydrofluoride
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tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride?
The IUPAC name of tributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride (CID 21245666) is tributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride.
What is the SMILES notation for tributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride?
The canonical SMILES for tributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride is CCCC[P+](C/C=C/CC(C)(C)CC(C)(C)C)(CCCC)CCCC.[Cl-].
What is the InChIKey of tributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride?
The InChIKey is IOGUBSKKKJGLTH-GEEYTBSJSA-M. The full InChI is InChI=1S/C24H50P.ClH/c1-9-12-18-25(19-13-10-2,20-14-11-3)21-16-15-17-24(7,8)22-23(4,5)6;/h15-16H,9-14,17-22H2,1-8H3;1H/q+1;/p-1/b16-15+;.
What are the key properties of tributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride?
tributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride has a molecular weight of 405.09 g/mol, XLogP of 5.82, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-5,5,7,7-tetramethyloct-2-enyl]phosphanium chloride is sourced from PubChem (CID 21245666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).