lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide

C24H32LiO3P — CID 23716759

IUPAClithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(=O)([O-])c1cc(C(C)(C)C)ccc1-2.[Li+]
InChIInChI=1S/C24H33O3P.Li/c1-22(2,3)15-10-11-17-18-12-16(23(4,5)6)13-19(24(7,8)9)21(18)27-28(25,26)20(17)14-15;/h10-14H,1-9H3,(H,25,26);/q;+1/p-1
InChIKeyXWRGKNXYROCSOF-UHFFFAOYSA-M
MW406.43 g/mol
LogP2.82
Rot. Bonds

About lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide

lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide (PubChem CID 23716759) has the molecular formula C24H32LiO3P and a molecular weight of 406.43 g/mol. Its IUPAC name is lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Namelithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide
PubChem CID23716759
Molecular FormulaC24H32LiO3P
Molecular Weight406.43 g/mol
Exact Mass406.22
IUPAC Namelithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(=O)([O-])c1cc(C(C)(C)C)ccc1-2.[Li+]
InChIInChI=1S/C24H33O3P.Li/c1-22(2,3)15-10-11-17-18-12-16(23(4,5)6)13-19(24(7,8)9)21(18)27-28(25,26)20(17)14-15;/h10-14H,1-9H3,(H,25,26);/q;+1/p-1
InChIKeyXWRGKNXYROCSOF-UHFFFAOYSA-M
XLogP2.82
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide 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

silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 71573958
lithium 2,4,8,10-tetratert-butyl-6-oxido-12,13-dihydrobenzo[d][1,3,2]benzodioxaphosphonine 6-oxide
CID 69257425
sodium 2,4,8,10-tetratert-butyl-6-oxido-12,13-dihydrobenzo[d][1,3,2]benzodioxaphosphonine 6-oxide
CID 23709252
aluminum tris(2,4,8,10-tetratert-butyl-6-oxido-12,13-dihydrobenzo[d][1,3,2]benzodioxaphosphonine 6-oxide)
CID 157373239
magnesium bis(1,3,7,9-tetratert-butyl-5-methyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide)
CID 22272209
calcium;magnesium;strontium;hydride;tris(1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide)
CID 158719232
benzyl 2-(2,4,8,10-tetratert-butyl-6-oxobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyacetate
CID 21199614
(2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane
CID 15821264
3,7-ditert-butyl-5-(4-methoxyphenyl)benzo[b]phosphindole 5-oxide
CID 102047261
CID 162068082
CID 162068082
2,4-ditert-butyl-1-[2-[2-(2,4-ditert-butylphenyl)phenyl]phenyl]benzene;phosphonous acid
CID 68656808
4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 19595767

Frequently Asked Questions

What is the IUPAC name of lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide?
The IUPAC name of lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide (CID 23716759) is lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide.
What is the SMILES notation for lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide?
The canonical SMILES for lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(=O)([O-])c1cc(C(C)(C)C)ccc1-2.[Li+].
What is the InChIKey of lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide?
The InChIKey is XWRGKNXYROCSOF-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H33O3P.Li/c1-22(2,3)15-10-11-17-18-12-16(23(4,5)6)13-19(24(7,8)9)21(18)27-28(25,26)20(17)14-15;/h10-14H,1-9H3,(H,25,26);/q;+1/p-1.
What are the key properties of lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide?
lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide has a molecular weight of 406.43 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 23716759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).