[(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium

C44H64O2P+ — CID 10794749

IUPAC[(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium
SMILESC(=C/CCCCCCCCCCC1OCCO1)\CCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H64O2P/c1(2-4-6-8-10-12-14-16-18-29-37-44-45-38-39-46-44)3-5-7-9-11-13-15-17-19-30-40-47(41-31-23-20-24-32-41,42-33-25-21-26-34-42)43-35-27-22-28-36-43/h1-2,20-28,31-36,44H,3-19,29-30,37-40H2/q+1/b2-1+
InChIKeyLNHMBMODUGBMGG-OWOJBTEDSA-N
MW655.97 g/mol
LogP11.71
Rot. Bonds26

About [(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium

[(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium (PubChem CID 10794749) has the molecular formula C44H64O2P+ and a molecular weight of 655.97 g/mol. Its IUPAC name is [(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium
PubChem CID10794749
Molecular FormulaC44H64O2P+
Molecular Weight655.97 g/mol
Exact Mass655.46
IUPAC Name[(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium
SMILESC(=C/CCCCCCCCCCC1OCCO1)\CCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H64O2P/c1(2-4-6-8-10-12-14-16-18-29-37-44-45-38-39-46-44)3-5-7-9-11-13-15-17-19-30-40-47(41-31-23-20-24-32-41,42-33-25-21-26-34-42)43-35-27-22-28-36-43/h1-2,20-28,31-36,44H,3-19,29-30,37-40H2/q+1/b2-1+
InChIKeyLNHMBMODUGBMGG-OWOJBTEDSA-N
XLogP11.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.97
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-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
5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium
CID 101498477
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
11-(oxan-2-yloxy)undec-4-enyl-triphenylphosphanium iodide
CID 175312543
[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
CID 10698794
[(E)-7-iodohept-6-enyl]-triphenylphosphanium bromide
CID 11092959
2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane
CID 69493253
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
triphenyl(undec-10-enyl)phosphanium
CID 3716115

Frequently Asked Questions

What is the IUPAC name of [(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium?
The IUPAC name of [(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium (CID 10794749) is [(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium.
What is the SMILES notation for [(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium?
The canonical SMILES for [(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium is C(=C/CCCCCCCCCCC1OCCO1)\CCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium?
The InChIKey is LNHMBMODUGBMGG-OWOJBTEDSA-N. The full InChI is InChI=1S/C44H64O2P/c1(2-4-6-8-10-12-14-16-18-29-37-44-45-38-39-46-44)3-5-7-9-11-13-15-17-19-30-40-47(41-31-23-20-24-32-41,42-33-25-21-26-34-42)43-35-27-22-28-36-43/h1-2,20-28,31-36,44H,3-19,29-30,37-40H2/q+1/b2-1+.
What are the key properties of [(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium?
[(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium has a molecular weight of 655.97 g/mol, XLogP of 11.71, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium is sourced from PubChem (CID 10794749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).