lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone

C28H42LiO7P — CID 173245466

About lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone

lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone (PubChem CID 173245466) has the molecular formula C28H42LiO7P and a molecular weight of 528.55 g/mol. Its IUPAC name is lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone.

Molecular Properties

• Compound Name: lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
• PubChem CID: 173245466
• Molecular Formula: C28H42LiO7P
• Molecular Weight: 528.55 g/mol
• Exact Mass: 528.28
• IUPAC Name: lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
• SMILES: COc1cc(OC)c(C(=O)Pc2c(OC(C)(C)C)cc(OC(C)(C)C)cc2OC(C)(C)C)c(OC)c1.[H-].[Li+]
• InChI: InChI=1S/C28H41O7P.Li.H/c1-26(2,3)33-18-15-21(34-27(4,5)6)24(22(16-18)35-28(7,8)9)36-25(29)23-19(31-11)13-17(30-10)14-20(23)32-12;;/h13-16,36H,1-12H3;;/q;+1;-1
• InChIKey: RJKJLUQLFFGNGZ-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.55
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone?

The IUPAC name of lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone (CID 173245466) is lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone.

What is the SMILES notation for lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone?

The canonical SMILES for lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone is COc1cc(OC)c(C(=O)Pc2c(OC(C)(C)C)cc(OC(C)(C)C)cc2OC(C)(C)C)c(OC)c1.[H-].[Li+].

What is the InChIKey of lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone?

The InChIKey is RJKJLUQLFFGNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41O7P.Li.H/c1-26(2,3)33-18-15-21(34-27(4,5)6)24(22(16-18)35-28(7,8)9)36-25(29)23-19(31-11)13-17(30-10)14-20(23)32-12;;/h13-16,36H,1-12H3;;/q;+1;-1.

What are the key properties of lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone?

lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone has a molecular weight of 528.55 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone is sourced from PubChem (CID 173245466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).