lithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide

C21H34LiOP — CID 141023172

IUPAClithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide
SMILESCC(C)(C)c1cc(C(C)(C)C)c(C(=O)CC[PH-])c(C(C)(C)C)c1.[Li+]
InChIInChI=1S/C21H34OP.Li/c1-19(2,3)14-12-15(20(4,5)6)18(17(22)10-11-23)16(13-14)21(7,8)9;/h12-13,23H,10-11H2,1-9H3;/q-1;+1
InChIKeyFNWYRNBTBAPECF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.30
Rot. Bonds3

About lithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide

lithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide (PubChem CID 141023172) has the molecular formula C21H34LiOP and a molecular weight of 340.42 g/mol. Its IUPAC name is lithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide.

Molecular Properties

Compound Namelithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide
PubChem CID141023172
Molecular FormulaC21H34LiOP
Molecular Weight340.42 g/mol
Exact Mass340.25
IUPAC Namelithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide
SMILESCC(C)(C)c1cc(C(C)(C)C)c(C(=O)CC[PH-])c(C(C)(C)C)c1.[Li+]
InChIInChI=1S/C21H34OP.Li/c1-19(2,3)14-12-15(20(4,5)6)18(17(22)10-11-23)16(13-14)21(7,8)9;/h12-13,23H,10-11H2,1-9H3;/q-1;+1
InChIKeyFNWYRNBTBAPECF-UHFFFAOYSA-N
XLogP3.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze lithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2,4,6-tritert-butylbenzoate
CID 5059268
N,2,4,6-tetratert-butylbenzamide
CID 18630063
3,5-ditert-butyl-4-pentanoylbenzaldehyde
CID 15550539
CID 159036901
CID 159036901
lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone
CID 173245829
lithium [3-oxo-3-(2,3,4,5,6-pentachlorophenyl)propyl]phosphanide
CID 141022977
1-chloro-1-(2,4,6-tritert-butylphenyl)phosphanylidenebutan-2-one
CID 134920180
2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
CID 10082173
1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]propan-1-one
CID 10692275
1,2,3,5-tetratert-butylbenzene
CID 18679123
calcium;3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoic acid;carbonate
CID 174722916
3-[3-tert-butyl-5-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-hydroxyphenyl]propanoyl chloride
CID 156861647

Frequently Asked Questions

What is the IUPAC name of lithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide?
The IUPAC name of lithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide (CID 141023172) is lithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide.
What is the SMILES notation for lithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide?
The canonical SMILES for lithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide is CC(C)(C)c1cc(C(C)(C)C)c(C(=O)CC[PH-])c(C(C)(C)C)c1.[Li+].
What is the InChIKey of lithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide?
The InChIKey is FNWYRNBTBAPECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34OP.Li/c1-19(2,3)14-12-15(20(4,5)6)18(17(22)10-11-23)16(13-14)21(7,8)9;/h12-13,23H,10-11H2,1-9H3;/q-1;+1.
What are the key properties of lithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide?
lithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide has a molecular weight of 340.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide is sourced from PubChem (CID 141023172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).