potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate

C23H22KO2P — CID 23669925

IUPACpotassium 5-(triphenyl-λ5-phosphanylidene)pentanoate
SMILESO=C([O-])CCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1.[K+]
InChIInChI=1S/C23H23O2P.K/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17,19H,10-11,18H2,(H,24,25);/q;+1/p-1
InChIKeyPRIKAOVBQVYXOQ-UHFFFAOYSA-M
MW400.50 g/mol
LogP-0.29
Rot. Bonds7

About potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate

potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate (PubChem CID 23669925) has the molecular formula C23H22KO2P and a molecular weight of 400.50 g/mol. Its IUPAC name is potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate.

Molecular Properties

Compound Namepotassium 5-(triphenyl-λ5-phosphanylidene)pentanoate
PubChem CID23669925
Molecular FormulaC23H22KO2P
Molecular Weight400.50 g/mol
Exact Mass400.10
IUPAC Namepotassium 5-(triphenyl-λ5-phosphanylidene)pentanoate
SMILESO=C([O-])CCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1.[K+]
InChIInChI=1S/C23H23O2P.K/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17,19H,10-11,18H2,(H,24,25);/q;+1/p-1
InChIKeyPRIKAOVBQVYXOQ-UHFFFAOYSA-M
XLogP-0.29
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane
CID 12864161
lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate
CID 23673071
3-[oxido(phenyl)phosphoryl]propanoate
CID 86314491
potassium 15-phenylpentadecanoate
CID 23717018
calcium bis(4-phenylbutanoate)
CID 11187721
triazanium;hexanedioate;benzoate
CID 178053899
lithium 4-phenylbutanoate
CID 50923149
pentanoate;phenylazanium
CID 139301604
5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one
CID 12923548
pentanoate;triphenylazanium
CID 139301485
decanoate;phenylmercury(1+)
CID 70457724
decanedioate;bis(tin(4+));benzoate
CID 160634216

Frequently Asked Questions

What is the IUPAC name of potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate?
The IUPAC name of potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate (CID 23669925) is potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate.
What is the SMILES notation for potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate?
The canonical SMILES for potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate is O=C([O-])CCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1.[K+].
What is the InChIKey of potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate?
The InChIKey is PRIKAOVBQVYXOQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H23O2P.K/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17,19H,10-11,18H2,(H,24,25);/q;+1/p-1.
What are the key properties of potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate?
potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate has a molecular weight of 400.50 g/mol, XLogP of -0.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate is sourced from PubChem (CID 23669925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).