2-methylbutanoyloxy(triphenyl)phosphanium

C23H24O2P+ — CID 174535437

IUPAC2-methylbutanoyloxy(triphenyl)phosphanium
SMILESCCC(C)C(=O)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O2P/c1-3-19(2)23(24)25-26(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
InChIKeyIBNPTABQLRGCAJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.48
Rot. Bonds6

About 2-methylbutanoyloxy(triphenyl)phosphanium

2-methylbutanoyloxy(triphenyl)phosphanium (PubChem CID 174535437) has the molecular formula C23H24O2P+ and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-methylbutanoyloxy(triphenyl)phosphanium.

Molecular Properties

Compound Name2-methylbutanoyloxy(triphenyl)phosphanium
PubChem CID174535437
Molecular FormulaC23H24O2P+
Molecular Weight363.42 g/mol
Exact Mass363.15
IUPAC Name2-methylbutanoyloxy(triphenyl)phosphanium
SMILESCCC(C)C(=O)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O2P/c1-3-19(2)23(24)25-26(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
InChIKeyIBNPTABQLRGCAJ-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutanoyloxy(triphenyl)phosphanium?
The IUPAC name of 2-methylbutanoyloxy(triphenyl)phosphanium (CID 174535437) is 2-methylbutanoyloxy(triphenyl)phosphanium.
What is the SMILES notation for 2-methylbutanoyloxy(triphenyl)phosphanium?
The canonical SMILES for 2-methylbutanoyloxy(triphenyl)phosphanium is CCC(C)C(=O)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methylbutanoyloxy(triphenyl)phosphanium?
The InChIKey is IBNPTABQLRGCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2P/c1-3-19(2)23(24)25-26(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-methylbutanoyloxy(triphenyl)phosphanium?
2-methylbutanoyloxy(triphenyl)phosphanium has a molecular weight of 363.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutanoyloxy(triphenyl)phosphanium is sourced from PubChem (CID 174535437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).