[(2S)-2-methylbut-3-enyl]-triphenylphosphanium

C23H24P+ — CID 10904649

IUPAC[(2S)-2-methylbut-3-enyl]-triphenylphosphanium
SMILESC=C[C@H](C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24P/c1-3-20(2)19-24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h3-18,20H,1,19H2,2H3/q+1/t20-/m0/s1
InChIKeyXWHYLHRTGKHDGQ-FQEVSTJZSA-N
MW331.42 g/mol
LogP4.80
Rot. Bonds6

About [(2S)-2-methylbut-3-enyl]-triphenylphosphanium

[(2S)-2-methylbut-3-enyl]-triphenylphosphanium (PubChem CID 10904649) has the molecular formula C23H24P+ and a molecular weight of 331.42 g/mol. Its IUPAC name is [(2S)-2-methylbut-3-enyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(2S)-2-methylbut-3-enyl]-triphenylphosphanium
PubChem CID10904649
Molecular FormulaC23H24P+
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name[(2S)-2-methylbut-3-enyl]-triphenylphosphanium
SMILESC=C[C@H](C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24P/c1-3-20(2)19-24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h3-18,20H,1,19H2,2H3/q+1/t20-/m0/s1
InChIKeyXWHYLHRTGKHDGQ-FQEVSTJZSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.80
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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Related Compounds

[(2R)-2-hydroxypropyl]-triphenylphosphanium
CID 14895269
2-bromopropyl(triphenyl)phosphanium;hydrobromide
CID 174746929
[(2S)-2-methoxypropyl]-triphenylphosphanium
CID 98159687
2,2-dibromoethyl(triphenyl)phosphanium
CID 54589542
triphenyl(undec-10-enyl)phosphanium
CID 3716115
ethenyl-ethyl-diphenylphosphanium
CID 175448312
oct-7-enyl(triphenyl)phosphanium bromide
CID 22627871
[(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride
CID 87056097
[(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium
CID 11017336
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
triphenyl(prop-2-enyl)phosphanium perchlorate
CID 21492296

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylbut-3-enyl]-triphenylphosphanium?
The IUPAC name of [(2S)-2-methylbut-3-enyl]-triphenylphosphanium (CID 10904649) is [(2S)-2-methylbut-3-enyl]-triphenylphosphanium.
What is the SMILES notation for [(2S)-2-methylbut-3-enyl]-triphenylphosphanium?
The canonical SMILES for [(2S)-2-methylbut-3-enyl]-triphenylphosphanium is C=C[C@H](C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-2-methylbut-3-enyl]-triphenylphosphanium?
The InChIKey is XWHYLHRTGKHDGQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24P/c1-3-20(2)19-24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h3-18,20H,1,19H2,2H3/q+1/t20-/m0/s1.
What are the key properties of [(2S)-2-methylbut-3-enyl]-triphenylphosphanium?
[(2S)-2-methylbut-3-enyl]-triphenylphosphanium has a molecular weight of 331.42 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylbut-3-enyl]-triphenylphosphanium is sourced from PubChem (CID 10904649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).