lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone

C25H36LiOP — CID 173245829

IUPAClithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone
SMILESCC(C)(C)c1cc(C(C)(C)C)c(C(=O)Pc2ccccc2)c(C(C)(C)C)c1.[H-].[Li+]
InChIInChI=1S/C25H35OP.Li.H/c1-23(2,3)17-15-19(24(4,5)6)21(20(16-17)25(7,8)9)22(26)27-18-13-11-10-12-14-18;;/h10-16,27H,1-9H3;;/q;+1;-1
InChIKeyBVMHFDNHWDFWQU-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.84
Rot. Bonds3

About lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone

lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone (PubChem CID 173245829) has the molecular formula C25H36LiOP and a molecular weight of 390.48 g/mol. Its IUPAC name is lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone.

Molecular Properties

Compound Namelithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone
PubChem CID173245829
Molecular FormulaC25H36LiOP
Molecular Weight390.48 g/mol
Exact Mass390.27
IUPAC Namelithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone
SMILESCC(C)(C)c1cc(C(C)(C)C)c(C(=O)Pc2ccccc2)c(C(C)(C)C)c1.[H-].[Li+]
InChIInChI=1S/C25H35OP.Li.H/c1-23(2,3)17-15-19(24(4,5)6)21(20(16-17)25(7,8)9)22(26)27-18-13-11-10-12-14-18;;/h10-16,27H,1-9H3;;/q;+1;-1
InChIKeyBVMHFDNHWDFWQU-UHFFFAOYSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butyl-2,6-dimethylphenyl)-phenylphosphanylmethanone
CID 18514788
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(4-phenylphenyl)phosphanylmethanone;hydride
CID 173245629
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-phenylphenyl)phosphanylmethanone;hydride
CID 173243309
lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone
CID 173243395
lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride
CID 173245177
lithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone
CID 174384467
CID 159036901
CID 159036901
methyl 2,4,6-tritert-butylbenzoate
CID 5059268
lithium [3-oxo-3-(2,4,6-tritert-butylphenyl)propyl]phosphanide
CID 141023172
1-phenylphosphanylethanone
CID 91587188
1-O-phenyl 2-O-(2,4,6-tritert-butylphenyl) oxalate
CID 15254869
3,5-ditert-butyl-2-phenylmethoxybenzoyl chloride
CID 102210368

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone?
The IUPAC name of lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone (CID 173245829) is lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone.
What is the SMILES notation for lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone?
The canonical SMILES for lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone is CC(C)(C)c1cc(C(C)(C)C)c(C(=O)Pc2ccccc2)c(C(C)(C)C)c1.[H-].[Li+].
What is the InChIKey of lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone?
The InChIKey is BVMHFDNHWDFWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35OP.Li.H/c1-23(2,3)17-15-19(24(4,5)6)21(20(16-17)25(7,8)9)22(26)27-18-13-11-10-12-14-18;;/h10-16,27H,1-9H3;;/q;+1;-1.
What are the key properties of lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone?
lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone has a molecular weight of 390.48 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone is sourced from PubChem (CID 173245829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).