3-methyl-5-triphenylphosphaniumylpentanoate

C24H25O2P — CID 172859612

IUPAC3-methyl-5-triphenylphosphaniumylpentanoate
SMILESCC(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC(=O)[O-]
InChIInChI=1S/C24H25O2P/c1-20(19-24(25)26)17-18-27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3
InChIKeyZEDJXOCGZYMJHT-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.15
Rot. Bonds8

About 3-methyl-5-triphenylphosphaniumylpentanoate

3-methyl-5-triphenylphosphaniumylpentanoate (PubChem CID 172859612) has the molecular formula C24H25O2P and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-methyl-5-triphenylphosphaniumylpentanoate.

Molecular Properties

Compound Name3-methyl-5-triphenylphosphaniumylpentanoate
PubChem CID172859612
Molecular FormulaC24H25O2P
Molecular Weight376.44 g/mol
Exact Mass376.16
IUPAC Name3-methyl-5-triphenylphosphaniumylpentanoate
SMILESCC(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC(=O)[O-]
InChIInChI=1S/C24H25O2P/c1-20(19-24(25)26)17-18-27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3
InChIKeyZEDJXOCGZYMJHT-UHFFFAOYSA-N
XLogP3.15
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-carboxy-3,4-dimethylpentyl)-triphenylphosphanium
CID 86733262
3-triphenylphosphaniumylpropanoate;hydrobromide
CID 131665697
bis(2-(dimethylamino)ethyl-triphenylphosphanium) diacetate
CID 173362420
(3-amino-3-oxopropyl)-triphenylphosphanium acetate
CID 139243684
2-carboxyethyl(triphenyl)phosphanium;hydrochloride
CID 87824769
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate
CID 173397747
bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate
CID 139068755
(3S)-3-phenylbutanoate
CID 6950118
triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate
CID 139080930
triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide
CID 10840468

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-triphenylphosphaniumylpentanoate?
The IUPAC name of 3-methyl-5-triphenylphosphaniumylpentanoate (CID 172859612) is 3-methyl-5-triphenylphosphaniumylpentanoate.
What is the SMILES notation for 3-methyl-5-triphenylphosphaniumylpentanoate?
The canonical SMILES for 3-methyl-5-triphenylphosphaniumylpentanoate is CC(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC(=O)[O-].
What is the InChIKey of 3-methyl-5-triphenylphosphaniumylpentanoate?
The InChIKey is ZEDJXOCGZYMJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O2P/c1-20(19-24(25)26)17-18-27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20H,17-19H2,1H3.
What are the key properties of 3-methyl-5-triphenylphosphaniumylpentanoate?
3-methyl-5-triphenylphosphaniumylpentanoate has a molecular weight of 376.44 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-triphenylphosphaniumylpentanoate is sourced from PubChem (CID 172859612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).