lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride

C27H40LiO4P — CID 173244432

IUPAClithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
SMILESCCC(C)Oc1cc(OC(C)CC)c(PC(=O)c2c(C)cccc2C)c(OC(C)CC)c1.[H-].[Li+]
InChIInChI=1S/C27H39O4P.Li.H/c1-9-19(6)29-22-15-23(30-20(7)10-2)26(24(16-22)31-21(8)11-3)32-27(28)25-17(4)13-12-14-18(25)5;;/h12-16,19-21,32H,9-11H2,1-8H3;;/q;+1;-1
InChIKeyWCNICZPWRVHKPX-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.10
Rot. Bonds12

About lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride

lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride (PubChem CID 173244432) has the molecular formula C27H40LiO4P and a molecular weight of 466.53 g/mol. Its IUPAC name is lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
PubChem CID173244432
Molecular FormulaC27H40LiO4P
Molecular Weight466.53 g/mol
Exact Mass466.28
IUPAC Namelithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
SMILESCCC(C)Oc1cc(OC(C)CC)c(PC(=O)c2c(C)cccc2C)c(OC(C)CC)c1.[H-].[Li+]
InChIInChI=1S/C27H39O4P.Li.H/c1-9-19(6)29-22-15-23(30-20(7)10-2)26(24(16-22)31-21(8)11-3)32-27(28)25-17(4)13-12-14-18(25)5;;/h12-16,19-21,32H,9-11H2,1-8H3;;/q;+1;-1
InChIKeyWCNICZPWRVHKPX-UHFFFAOYSA-N
XLogP4.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173245454
CID 70016722
CID 70016722
(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 22460050
(2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 18515217
lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245190
(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514742
CID 70015738
CID 70015738
lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244643
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245941
lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173243873
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride
CID 173244242

Frequently Asked Questions

What is the IUPAC name of lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride (CID 173244432) is lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride is CCC(C)Oc1cc(OC(C)CC)c(PC(=O)c2c(C)cccc2C)c(OC(C)CC)c1.[H-].[Li+].
What is the InChIKey of lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride?
The InChIKey is WCNICZPWRVHKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39O4P.Li.H/c1-9-19(6)29-22-15-23(30-20(7)10-2)26(24(16-22)31-21(8)11-3)32-27(28)25-17(4)13-12-14-18(25)5;;/h12-16,19-21,32H,9-11H2,1-8H3;;/q;+1;-1.
What are the key properties of lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride?
lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride has a molecular weight of 466.53 g/mol, XLogP of 4.10, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173244432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).