but-3-enyl(triphenyl)phosphanium

C22H22P+ — CID 500022

IUPACbut-3-enyl(triphenyl)phosphanium
SMILESC=CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22P/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h2,4-18H,1,3,19H2/q+1
InChIKeyIFHNDGJLDIUUHL-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.56
Rot. Bonds6

About but-3-enyl(triphenyl)phosphanium

but-3-enyl(triphenyl)phosphanium (PubChem CID 500022) has the molecular formula C22H22P+ and a molecular weight of 317.39 g/mol. Its IUPAC name is but-3-enyl(triphenyl)phosphanium.

Molecular Properties

Compound Namebut-3-enyl(triphenyl)phosphanium
PubChem CID500022
Molecular FormulaC22H22P+
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Namebut-3-enyl(triphenyl)phosphanium
SMILESC=CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22P/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h2,4-18H,1,3,19H2/q+1
InChIKeyIFHNDGJLDIUUHL-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enyl(triphenyl)phosphanium?
The IUPAC name of but-3-enyl(triphenyl)phosphanium (CID 500022) is but-3-enyl(triphenyl)phosphanium.
What is the SMILES notation for but-3-enyl(triphenyl)phosphanium?
The canonical SMILES for but-3-enyl(triphenyl)phosphanium is C=CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of but-3-enyl(triphenyl)phosphanium?
The InChIKey is IFHNDGJLDIUUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22P/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h2,4-18H,1,3,19H2/q+1.
What are the key properties of but-3-enyl(triphenyl)phosphanium?
but-3-enyl(triphenyl)phosphanium has a molecular weight of 317.39 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl(triphenyl)phosphanium is sourced from PubChem (CID 500022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).