5-oxopent-4-enyl(triphenyl)phosphanium bromide

C23H22BrOP — CID 88842320

IUPAC5-oxopent-4-enyl(triphenyl)phosphanium bromide
SMILESO=C=CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C23H22OP.BrH/c24-19-11-4-12-20-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23;/h1-3,5-11,13-18H,4,12,20H2;1H/q+1;/p-1
InChIKeyPCGKXWGDKVLVPR-UHFFFAOYSA-M
MW425.31 g/mol
LogP1.15
Rot. Bonds7

About 5-oxopent-4-enyl(triphenyl)phosphanium bromide

5-oxopent-4-enyl(triphenyl)phosphanium bromide (PubChem CID 88842320) has the molecular formula C23H22BrOP and a molecular weight of 425.31 g/mol. Its IUPAC name is 5-oxopent-4-enyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Name5-oxopent-4-enyl(triphenyl)phosphanium bromide
PubChem CID88842320
Molecular FormulaC23H22BrOP
Molecular Weight425.31 g/mol
Exact Mass424.06
IUPAC Name5-oxopent-4-enyl(triphenyl)phosphanium bromide
SMILESO=C=CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C23H22OP.BrH/c24-19-11-4-12-20-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23;/h1-3,5-11,13-18H,4,12,20H2;1H/q+1;/p-1
InChIKeyPCGKXWGDKVLVPR-UHFFFAOYSA-M
XLogP1.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
oct-7-enyl(triphenyl)phosphanium bromide
CID 22627871
4-cyanobutyl(triphenyl)phosphanium bromide
CID 11418829
triphenyl(4-sulfanylbutyl)phosphanium bromide
CID 71353664
triphenyl(undec-10-enyl)phosphanium
CID 3716115
[(E)-7-iodohept-6-enyl]-triphenylphosphanium bromide
CID 11092959
deca-4,8-dienyl(triphenyl)phosphanium
CID 173274307
triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium
CID 101437845
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
4-iodobutyl(triphenyl)phosphanium
CID 16760510

Frequently Asked Questions

What is the IUPAC name of 5-oxopent-4-enyl(triphenyl)phosphanium bromide?
The IUPAC name of 5-oxopent-4-enyl(triphenyl)phosphanium bromide (CID 88842320) is 5-oxopent-4-enyl(triphenyl)phosphanium bromide.
What is the SMILES notation for 5-oxopent-4-enyl(triphenyl)phosphanium bromide?
The canonical SMILES for 5-oxopent-4-enyl(triphenyl)phosphanium bromide is O=C=CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 5-oxopent-4-enyl(triphenyl)phosphanium bromide?
The InChIKey is PCGKXWGDKVLVPR-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H22OP.BrH/c24-19-11-4-12-20-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23;/h1-3,5-11,13-18H,4,12,20H2;1H/q+1;/p-1.
What are the key properties of 5-oxopent-4-enyl(triphenyl)phosphanium bromide?
5-oxopent-4-enyl(triphenyl)phosphanium bromide has a molecular weight of 425.31 g/mol, XLogP of 1.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxopent-4-enyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 88842320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).