5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium

C26H30O2P+ — CID 101498477

IUPAC5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium
SMILESc1ccc([P+](CCCCCC2OCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H30O2P/c1-5-13-23(14-6-1)29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)22-12-4-11-19-26-27-20-21-28-26/h1-3,5-10,13-18,26H,4,11-12,19-22H2/q+1
InChIKeyOTOWUVKREGIPAH-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.91
Rot. Bonds9

About 5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium

5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium (PubChem CID 101498477) has the molecular formula C26H30O2P+ and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium.

Molecular Properties

Compound Name5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium
PubChem CID101498477
Molecular FormulaC26H30O2P+
Molecular Weight405.50 g/mol
Exact Mass405.20
IUPAC Name5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium
SMILESc1ccc([P+](CCCCCC2OCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H30O2P/c1-5-13-23(14-6-1)29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)22-12-4-11-19-26-27-20-21-28-26/h1-3,5-10,13-18,26H,4,11-12,19-22H2/q+1
InChIKeyOTOWUVKREGIPAH-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(1,3-dioxolan-2-yl)octyl-triphenylphosphanium
CID 58070076
[(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium
CID 10794749
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
4-[3-(1,4-dioxan-2-yl)-1,4-dioxan-2-yl]butyl-triphenylphosphanium iodide
CID 88797770
azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide
CID 172743171
8-(1,4-dioxan-2-yloxy)nonyl-triphenylphosphanium
CID 175114966
hexyl(triphenyl)phosphanium
CID 2724570
8-bromooctyl(triphenyl)phosphanium
CID 11991463
triphenyl(11-phenylundecyl)phosphanium
CID 23583359
dodecyl(triphenyl)phosphanium iodide
CID 22245251
dodecyl(triphenyl)phosphanium fluoride
CID 88725542

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium?
The IUPAC name of 5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium (CID 101498477) is 5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium.
What is the SMILES notation for 5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium?
The canonical SMILES for 5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium is c1ccc([P+](CCCCCC2OCCO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium?
The InChIKey is OTOWUVKREGIPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2P/c1-5-13-23(14-6-1)29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)22-12-4-11-19-26-27-20-21-28-26/h1-3,5-10,13-18,26H,4,11-12,19-22H2/q+1.
What are the key properties of 5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium?
5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium has a molecular weight of 405.50 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium is sourced from PubChem (CID 101498477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).