butanoate;tetraphenylphosphanium

C28H27O2P — CID 146567473

IUPACbutanoate;tetraphenylphosphanium
SMILESCCCC(=O)[O-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20P.C4H8O2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-3-4(5)6/h1-20H;2-3H2,1H3,(H,5,6)/q+1;/p-1
InChIKeyOULGPQBVVQIVJE-UHFFFAOYSA-M
MW426.50 g/mol
LogP3.84
Rot. Bonds6

About butanoate;tetraphenylphosphanium

butanoate;tetraphenylphosphanium (PubChem CID 146567473) has the molecular formula C28H27O2P and a molecular weight of 426.50 g/mol. Its IUPAC name is butanoate;tetraphenylphosphanium.

Molecular Properties

Compound Namebutanoate;tetraphenylphosphanium
PubChem CID146567473
Molecular FormulaC28H27O2P
Molecular Weight426.50 g/mol
Exact Mass426.17
IUPAC Namebutanoate;tetraphenylphosphanium
SMILESCCCC(=O)[O-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20P.C4H8O2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-3-4(5)6/h1-20H;2-3H2,1H3,(H,5,6)/q+1;/p-1
InChIKeyOULGPQBVVQIVJE-UHFFFAOYSA-M
XLogP3.84
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;benzene;butanoate
CID 160864894
butanoate;ytterbium(2+)
CID 88777454
strontium butanoate
CID 19035288
butanoate;bis(rhodium(3+))
CID 173415846
silver butanoate
CID 14944495
tetrapotassium;butanoate
CID 140982885
butanoate;tin(4+)
CID 159447903
potassium butanoate
CID 23677461
magnesium butanoate
CID 6453218
benzyl(triphenyl)phosphanium;octadecanoate
CID 22595223
3-triphenylphosphaniumylpropanoate;hydrobromide
CID 131665697
butanoate;(4-iodophenyl)-diphenylsulfanium
CID 161461983

Frequently Asked Questions

What is the IUPAC name of butanoate;tetraphenylphosphanium?
The IUPAC name of butanoate;tetraphenylphosphanium (CID 146567473) is butanoate;tetraphenylphosphanium.
What is the SMILES notation for butanoate;tetraphenylphosphanium?
The canonical SMILES for butanoate;tetraphenylphosphanium is CCCC(=O)[O-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of butanoate;tetraphenylphosphanium?
The InChIKey is OULGPQBVVQIVJE-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20P.C4H8O2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-3-4(5)6/h1-20H;2-3H2,1H3,(H,5,6)/q+1;/p-1.
What are the key properties of butanoate;tetraphenylphosphanium?
butanoate;tetraphenylphosphanium has a molecular weight of 426.50 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanoate;tetraphenylphosphanium is sourced from PubChem (CID 146567473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).