lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride

C24H34LiO7P — CID 173244643

IUPAClithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride
SMILESCOCCOc1cc(OCCOC)c(PC(=O)c2c(C)cccc2C)c(OCCOC)c1.[H-].[Li+]
InChIInChI=1S/C24H33O7P.Li.H/c1-17-7-6-8-18(2)22(17)24(25)32-23-20(30-13-10-27-4)15-19(29-12-9-26-3)16-21(23)31-14-11-28-5;;/h6-8,15-16,32H,9-14H2,1-5H3;;/q;+1;-1
InChIKeyPTLVBCBIRKRPBB-UHFFFAOYSA-N
MW472.44 g/mol
LogP0.64
Rot. Bonds15

About lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride

lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride (PubChem CID 173244643) has the molecular formula C24H34LiO7P and a molecular weight of 472.44 g/mol. Its IUPAC name is lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride
PubChem CID173244643
Molecular FormulaC24H34LiO7P
Molecular Weight472.44 g/mol
Exact Mass472.22
IUPAC Namelithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride
SMILESCOCCOc1cc(OCCOC)c(PC(=O)c2c(C)cccc2C)c(OCCOC)c1.[H-].[Li+]
InChIInChI=1S/C24H33O7P.Li.H/c1-17-7-6-8-18(2)22(17)24(25)32-23-20(30-13-10-27-4)15-19(29-12-9-26-3)16-21(23)31-14-11-28-5;;/h6-8,15-16,32H,9-14H2,1-5H3;;/q;+1;-1
InChIKeyPTLVBCBIRKRPBB-UHFFFAOYSA-N
XLogP0.64
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.44
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514742
CID 70015738
CID 70015738
lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18514819
lithium;hydride;(2,4,6-trimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 173244414
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride
CID 173243882
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-trihexoxyphenyl)phosphanylmethanone;hydride
CID 173245452
(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone
CID 18514442
lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173244432
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70012807
(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 18513888

Frequently Asked Questions

What is the IUPAC name of lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride (CID 173244643) is lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride is COCCOc1cc(OCCOC)c(PC(=O)c2c(C)cccc2C)c(OCCOC)c1.[H-].[Li+].
What is the InChIKey of lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride?
The InChIKey is PTLVBCBIRKRPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33O7P.Li.H/c1-17-7-6-8-18(2)22(17)24(25)32-23-20(30-13-10-27-4)15-19(29-12-9-26-3)16-21(23)31-14-11-28-5;;/h6-8,15-16,32H,9-14H2,1-5H3;;/q;+1;-1.
What are the key properties of lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride?
lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride has a molecular weight of 472.44 g/mol, XLogP of 0.64, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173244643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).