lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate

C22H22LiOP — CID 23673071

IUPAClithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate
SMILES[Li+].[O-]CCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OP.Li/c23-18-10-11-19-24(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;/q-1;+1
InChIKeyWFFJJXAZUZDIMA-UHFFFAOYSA-N
MW340.33 g/mol
LogP-0.07
Rot. Bonds6

About lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate

lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate (PubChem CID 23673071) has the molecular formula C22H22LiOP and a molecular weight of 340.33 g/mol. Its IUPAC name is lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate.

Molecular Properties

Compound Namelithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate
PubChem CID23673071
Molecular FormulaC22H22LiOP
Molecular Weight340.33 g/mol
Exact Mass340.16
IUPAC Namelithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate
SMILES[Li+].[O-]CCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OP.Li/c23-18-10-11-19-24(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;/q-1;+1
InChIKeyWFFJJXAZUZDIMA-UHFFFAOYSA-N
XLogP-0.07
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate
CID 23669925
1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate
CID 101201870
non-3-enylidene(triphenyl)-λ5-phosphane
CID 57280136
phenyl-dipropyl-sulfanylidene-λ5-phosphane
CID 135075774
dioctyl-phenyl-sulfanylidene-λ5-phosphane
CID 54529232
bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane
CID 23415957
dimethylphosphanylmethylidene(triphenyl)-λ5-phosphane
CID 23416555
lithium diphenylphosphinate
CID 23680317
triphenyl(phenylmethoxymethylidene)-λ5-phosphane
CID 14869671
sodium;dodecan-1-olate;toluene
CID 174701428
triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane
CID 174781016

Frequently Asked Questions

What is the IUPAC name of lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate?
The IUPAC name of lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate (CID 23673071) is lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate.
What is the SMILES notation for lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate?
The canonical SMILES for lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate is [Li+].[O-]CCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate?
The InChIKey is WFFJJXAZUZDIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22OP.Li/c23-18-10-11-19-24(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;/q-1;+1.
What are the key properties of lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate?
lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate has a molecular weight of 340.33 g/mol, XLogP of -0.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate is sourced from PubChem (CID 23673071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).