[(E)-but-2-enyl]-triphenylphosphanium iodide

C22H22IP — CID 19366382

IUPAC[(E)-but-2-enyl]-triphenylphosphanium iodide
SMILESC/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C22H22P.HI/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;/h2-18H,19H2,1H3;1H/q+1;/p-1/b3-2+;
InChIKeyLVKVMPOQSYJJJR-SQQVDAMQSA-M
MW444.30 g/mol
LogP1.56
Rot. Bonds5

About [(E)-but-2-enyl]-triphenylphosphanium iodide

[(E)-but-2-enyl]-triphenylphosphanium iodide (PubChem CID 19366382) has the molecular formula C22H22IP and a molecular weight of 444.30 g/mol. Its IUPAC name is [(E)-but-2-enyl]-triphenylphosphanium iodide.

Molecular Properties

Compound Name[(E)-but-2-enyl]-triphenylphosphanium iodide
PubChem CID19366382
Molecular FormulaC22H22IP
Molecular Weight444.30 g/mol
Exact Mass444.05
IUPAC Name[(E)-but-2-enyl]-triphenylphosphanium iodide
SMILESC/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C22H22P.HI/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;/h2-18H,19H2,1H3;1H/q+1;/p-1/b3-2+;
InChIKeyLVKVMPOQSYJJJR-SQQVDAMQSA-M
XLogP1.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium
CID 13156160
[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
CID 10894920
triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium
CID 11283206
[(E)-4-bromobut-2-enyl]-triphenylphosphanium;hydrobromide
CID 20833566
deca-4,8-dienyl(triphenyl)phosphanium
CID 173274307
penta-2,4-dienyl(triphenyl)phosphanium bromide
CID 72767674
[(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium
CID 89336111
trisodium;3-[[(E)-but-2-enyl]-bis(3-sulfonatophenyl)phosphaniumyl]benzenesulfonate
CID 102596450
[(E)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium bromide
CID 6450201
hexafluoroantimony(1-);hydron;triphenyl(3-phenylprop-2-enyl)phosphanium
CID 174648580
6-chlorohex-2-enyl(triphenyl)phosphanium bromide
CID 174231395
triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium
CID 101160336

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl]-triphenylphosphanium iodide?
The IUPAC name of [(E)-but-2-enyl]-triphenylphosphanium iodide (CID 19366382) is [(E)-but-2-enyl]-triphenylphosphanium iodide.
What is the SMILES notation for [(E)-but-2-enyl]-triphenylphosphanium iodide?
The canonical SMILES for [(E)-but-2-enyl]-triphenylphosphanium iodide is C/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of [(E)-but-2-enyl]-triphenylphosphanium iodide?
The InChIKey is LVKVMPOQSYJJJR-SQQVDAMQSA-M. The full InChI is InChI=1S/C22H22P.HI/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;/h2-18H,19H2,1H3;1H/q+1;/p-1/b3-2+;.
What are the key properties of [(E)-but-2-enyl]-triphenylphosphanium iodide?
[(E)-but-2-enyl]-triphenylphosphanium iodide has a molecular weight of 444.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl]-triphenylphosphanium iodide is sourced from PubChem (CID 19366382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).