2-methylbutanoyl(triphenyl)phosphanium

C23H24OP+ — CID 175177571

IUPAC2-methylbutanoyl(triphenyl)phosphanium
SMILESCCC(C)C(=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24OP/c1-3-19(2)23(24)25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/q+1
InChIKeyBNGDBLBTQQBTSC-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.55
Rot. Bonds6

About 2-methylbutanoyl(triphenyl)phosphanium

2-methylbutanoyl(triphenyl)phosphanium (PubChem CID 175177571) has the molecular formula C23H24OP+ and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-methylbutanoyl(triphenyl)phosphanium.

Molecular Properties

Compound Name2-methylbutanoyl(triphenyl)phosphanium
PubChem CID175177571
Molecular FormulaC23H24OP+
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-methylbutanoyl(triphenyl)phosphanium
SMILESCCC(C)C(=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24OP/c1-3-19(2)23(24)25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/q+1
InChIKeyBNGDBLBTQQBTSC-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylbutanoyloxy(triphenyl)phosphanium
CID 174535437
1-carbazol-9-yl-2-methylbutan-1-one
CID 58981488
triphenyl(propoxycarbonyl)phosphanium
CID 155678624
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
triphenyl(propoxycarbonyl)phosphanium bromide
CID 159232069
4-methyl-1-phenylhex-1-yn-3-one
CID 130137135
(1R,4R)-1-hydroxy-4-methyl-1-phenylhexan-3-one
CID 131864107
carbamoyl(triphenyl)phosphanium
CID 174403356
bis(hydroxymethyl)-methyl-phenylphosphanium
CID 3061532
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
tribenzoyl(ethyl)phosphanium
CID 67361318
N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 166510435

Frequently Asked Questions

What is the IUPAC name of 2-methylbutanoyl(triphenyl)phosphanium?
The IUPAC name of 2-methylbutanoyl(triphenyl)phosphanium (CID 175177571) is 2-methylbutanoyl(triphenyl)phosphanium.
What is the SMILES notation for 2-methylbutanoyl(triphenyl)phosphanium?
The canonical SMILES for 2-methylbutanoyl(triphenyl)phosphanium is CCC(C)C(=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methylbutanoyl(triphenyl)phosphanium?
The InChIKey is BNGDBLBTQQBTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24OP/c1-3-19(2)23(24)25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/q+1.
What are the key properties of 2-methylbutanoyl(triphenyl)phosphanium?
2-methylbutanoyl(triphenyl)phosphanium has a molecular weight of 347.42 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutanoyl(triphenyl)phosphanium is sourced from PubChem (CID 175177571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).