tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium

C27H48P+ — CID 160536967

IUPACtributyl-[7-(4-ethenylphenyl)heptyl]phosphanium
SMILESC=Cc1ccc(CCCCCCC[P+](CCCC)(CCCC)CCCC)cc1
InChIInChI=1S/C27H48P/c1-5-9-22-28(23-10-6-2,24-11-7-3)25-16-14-12-13-15-17-27-20-18-26(8-4)19-21-27/h8,18-21H,4-7,9-17,22-25H2,1-3H3/q+1
InChIKeyQWGXSSPDWYEQEU-UHFFFAOYSA-N
MW403.66 g/mol
LogP9.24
Rot. Bonds18

About tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium

tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium (PubChem CID 160536967) has the molecular formula C27H48P+ and a molecular weight of 403.66 g/mol. Its IUPAC name is tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium.

Molecular Properties

Compound Nametributyl-[7-(4-ethenylphenyl)heptyl]phosphanium
PubChem CID160536967
Molecular FormulaC27H48P+
Molecular Weight403.66 g/mol
Exact Mass403.35
IUPAC Nametributyl-[7-(4-ethenylphenyl)heptyl]phosphanium
SMILESC=Cc1ccc(CCCCCCC[P+](CCCC)(CCCC)CCCC)cc1
InChIInChI=1S/C27H48P/c1-5-9-22-28(23-10-6-2,24-11-7-3)25-16-14-12-13-15-17-27-20-18-26(8-4)19-21-27/h8,18-21H,4-7,9-17,22-25H2,1-3H3/q+1
InChIKeyQWGXSSPDWYEQEU-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.66
LogP ≤ 59.24
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

1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide
CID 22119369
1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene
CID 157182704
17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine
CID 178066852
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene
CID 90876868
6-(4-ethenylphenyl)hexan-1-amine;hydrochloride
CID 71420169
ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole
CID 153373641
azane;1-ethenyl-4-(3-ethylpentyl)benzene
CID 175164173
N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine
CID 14420666

Frequently Asked Questions

What is the IUPAC name of tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium?
The IUPAC name of tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium (CID 160536967) is tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium.
What is the SMILES notation for tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium?
The canonical SMILES for tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium is C=Cc1ccc(CCCCCCC[P+](CCCC)(CCCC)CCCC)cc1.
What is the InChIKey of tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium?
The InChIKey is QWGXSSPDWYEQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48P/c1-5-9-22-28(23-10-6-2,24-11-7-3)25-16-14-12-13-15-17-27-20-18-26(8-4)19-21-27/h8,18-21H,4-7,9-17,22-25H2,1-3H3/q+1.
What are the key properties of tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium?
tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium has a molecular weight of 403.66 g/mol, XLogP of 9.24, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium is sourced from PubChem (CID 160536967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).