[(Z)-pent-3-en-2-yl]-triphenylphosphanium

C23H24P+ — CID 13156142

IUPAC[(Z)-pent-3-en-2-yl]-triphenylphosphanium
SMILESC/C=C\C(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24P/c1-3-13-20(2)24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h3-20H,1-2H3/q+1/b13-3-
InChIKeyZMLVGFJYCXDENJ-DXNYSGJVSA-N
MW331.42 g/mol
LogP4.95
Rot. Bonds5

About [(Z)-pent-3-en-2-yl]-triphenylphosphanium

[(Z)-pent-3-en-2-yl]-triphenylphosphanium (PubChem CID 13156142) has the molecular formula C23H24P+ and a molecular weight of 331.42 g/mol. Its IUPAC name is [(Z)-pent-3-en-2-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[(Z)-pent-3-en-2-yl]-triphenylphosphanium
PubChem CID13156142
Molecular FormulaC23H24P+
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name[(Z)-pent-3-en-2-yl]-triphenylphosphanium
SMILESC/C=C\C(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24P/c1-3-13-20(2)24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h3-20H,1-2H3/q+1/b13-3-
InChIKeyZMLVGFJYCXDENJ-DXNYSGJVSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.95
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 [(Z)-pent-3-en-2-yl]-triphenylphosphanium?
The IUPAC name of [(Z)-pent-3-en-2-yl]-triphenylphosphanium (CID 13156142) is [(Z)-pent-3-en-2-yl]-triphenylphosphanium.
What is the SMILES notation for [(Z)-pent-3-en-2-yl]-triphenylphosphanium?
The canonical SMILES for [(Z)-pent-3-en-2-yl]-triphenylphosphanium is C/C=C\C(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-pent-3-en-2-yl]-triphenylphosphanium?
The InChIKey is ZMLVGFJYCXDENJ-DXNYSGJVSA-N. The full InChI is InChI=1S/C23H24P/c1-3-13-20(2)24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h3-20H,1-2H3/q+1/b13-3-.
What are the key properties of [(Z)-pent-3-en-2-yl]-triphenylphosphanium?
[(Z)-pent-3-en-2-yl]-triphenylphosphanium has a molecular weight of 331.42 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-pent-3-en-2-yl]-triphenylphosphanium is sourced from PubChem (CID 13156142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).