9-carboxynonyl(triphenyl)phosphanium iodide

C28H34IO2P — CID 126698035

IUPAC9-carboxynonyl(triphenyl)phosphanium iodide
SMILESO=C(O)CCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C28H33O2P.HI/c29-28(30)23-15-4-2-1-3-5-16-24-31(25-17-9-6-10-18-25,26-19-11-7-12-20-26)27-21-13-8-14-22-27;/h6-14,17-22H,1-5,15-16,23-24H2;1H
InChIKeyJJUGPQIBEDCTMU-UHFFFAOYSA-N
MW560.46 g/mol
LogP3.19
Rot. Bonds13

About 9-carboxynonyl(triphenyl)phosphanium iodide

9-carboxynonyl(triphenyl)phosphanium iodide (PubChem CID 126698035) has the molecular formula C28H34IO2P and a molecular weight of 560.46 g/mol. Its IUPAC name is 9-carboxynonyl(triphenyl)phosphanium iodide.

Molecular Properties

Compound Name9-carboxynonyl(triphenyl)phosphanium iodide
PubChem CID126698035
Molecular FormulaC28H34IO2P
Molecular Weight560.46 g/mol
Exact Mass560.13
IUPAC Name9-carboxynonyl(triphenyl)phosphanium iodide
SMILESO=C(O)CCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C28H33O2P.HI/c29-28(30)23-15-4-2-1-3-5-16-24-31(25-17-9-6-10-18-25,26-19-11-7-12-20-26)27-21-13-8-14-22-27;/h6-14,17-22H,1-5,15-16,23-24H2;1H
InChIKeyJJUGPQIBEDCTMU-UHFFFAOYSA-N
XLogP3.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bromomethane;6-carboxyhexyl(triphenyl)phosphanium
CID 177012688
2-carboxyethyl(triphenyl)phosphanium;hydrochloride
CID 87824769
7-carboxyheptyl-dimethyl-phenylphosphanium bromide
CID 135362418
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide
CID 102601236
11-carboxyundecyl-(1-ethenylpyrazol-4-yl)-diphenylphosphanium
CID 163608502
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium
CID 118603839
(6-ethoxy-6-oxohexyl)-triphenylphosphanium
CID 10345272
12-methyltridec-12-enyl(triphenyl)phosphanium
CID 172616044
(8-ethoxy-8-oxooctyl)-triphenylphosphanium bromide
CID 20534497

Frequently Asked Questions

What is the IUPAC name of 9-carboxynonyl(triphenyl)phosphanium iodide?
The IUPAC name of 9-carboxynonyl(triphenyl)phosphanium iodide (CID 126698035) is 9-carboxynonyl(triphenyl)phosphanium iodide.
What is the SMILES notation for 9-carboxynonyl(triphenyl)phosphanium iodide?
The canonical SMILES for 9-carboxynonyl(triphenyl)phosphanium iodide is O=C(O)CCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of 9-carboxynonyl(triphenyl)phosphanium iodide?
The InChIKey is JJUGPQIBEDCTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33O2P.HI/c29-28(30)23-15-4-2-1-3-5-16-24-31(25-17-9-6-10-18-25,26-19-11-7-12-20-26)27-21-13-8-14-22-27;/h6-14,17-22H,1-5,15-16,23-24H2;1H.
What are the key properties of 9-carboxynonyl(triphenyl)phosphanium iodide?
9-carboxynonyl(triphenyl)phosphanium iodide has a molecular weight of 560.46 g/mol, XLogP of 3.19, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carboxynonyl(triphenyl)phosphanium iodide is sourced from PubChem (CID 126698035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).