2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium

C30H30O2P+ — CID 86746663

IUPAC2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium
SMILESc1ccc(CC2(CC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)OCCO2)cc1
InChIInChI=1S/C30H30O2P/c1-5-13-26(14-6-1)25-30(31-22-23-32-30)21-24-33(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20H,21-25H2/q+1
InChIKeyBAIIWTRYXUOTMH-UHFFFAOYSA-N
MW453.54 g/mol
LogP5.36
Rot. Bonds8

About 2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium

2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium (PubChem CID 86746663) has the molecular formula C30H30O2P+ and a molecular weight of 453.54 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium
PubChem CID86746663
Molecular FormulaC30H30O2P+
Molecular Weight453.54 g/mol
Exact Mass453.20
IUPAC Name2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium
SMILESc1ccc(CC2(CC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)OCCO2)cc1
InChIInChI=1S/C30H30O2P/c1-5-13-26(14-6-1)25-30(31-22-23-32-30)21-24-33(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20H,21-25H2/q+1
InChIKeyBAIIWTRYXUOTMH-UHFFFAOYSA-N
XLogP5.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.54
LogP ≤ 55.36
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

4-[3-(2-benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]pyridine-2,3,6-triamine
CID 130451185
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
triphenyl(2-phenylethyl)phosphanium chloride
CID 88746248
1-[2-(2-benzyl-1,3-dioxan-2-yl)ethyl]imidazole
CID 20547993
2-benzyl-2-(2-benzyloxiran-2-yl)oxirane
CID 174859791
triphenyl(11-phenylundecyl)phosphanium
CID 23583359
2-[(2R)-2-benzyloxiran-2-yl]ethanamine
CID 151856778
1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide
CID 20547508
10-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)decyl-triphenylphosphanium
CID 11262335
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium?
The IUPAC name of 2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium (CID 86746663) is 2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium.
What is the SMILES notation for 2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium?
The canonical SMILES for 2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium is c1ccc(CC2(CC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)OCCO2)cc1.
What is the InChIKey of 2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium?
The InChIKey is BAIIWTRYXUOTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2P/c1-5-13-26(14-6-1)25-30(31-22-23-32-30)21-24-33(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20H,21-25H2/q+1.
What are the key properties of 2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium?
2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium has a molecular weight of 453.54 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium is sourced from PubChem (CID 86746663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).