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

C27H40LiO6P — CID 173245454

IUPAClithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
SMILESCCC(C)Oc1cc(OC(C)CC)c(PC(=O)c2c(OC)cccc2OC)c(OC(C)CC)c1.[H-].[Li+]
InChIInChI=1S/C27H39O6P.Li.H/c1-9-17(4)31-20-15-23(32-18(5)10-2)26(24(16-20)33-19(6)11-3)34-27(28)25-21(29-7)13-12-14-22(25)30-8;;/h12-19,34H,9-11H2,1-8H3;;/q;+1;-1
InChIKeyMMQGNGUYNAFWPH-UHFFFAOYSA-N
MW498.53 g/mol
LogP3.50
Rot. Bonds14

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

lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride (PubChem CID 173245454) has the molecular formula C27H40LiO6P and a molecular weight of 498.53 g/mol. Its IUPAC name is lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
PubChem CID173245454
Molecular FormulaC27H40LiO6P
Molecular Weight498.53 g/mol
Exact Mass498.27
IUPAC Namelithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
SMILESCCC(C)Oc1cc(OC(C)CC)c(PC(=O)c2c(OC)cccc2OC)c(OC(C)CC)c1.[H-].[Li+]
InChIInChI=1S/C27H39O6P.Li.H/c1-9-17(4)31-20-15-23(32-18(5)10-2)26(24(16-20)33-19(6)11-3)34-27(28)25-21(29-7)13-12-14-22(25)30-8;;/h12-19,34H,9-11H2,1-8H3;;/q;+1;-1
InChIKeyMMQGNGUYNAFWPH-UHFFFAOYSA-N
XLogP3.50
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 22460050
lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173244432
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245941
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173244207
lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173243351
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325
CID 70014116
CID 70014116
lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173245850
(2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 18515217
lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
CID 173245877
CID 70016726
CID 70016726

Frequently Asked Questions

What is the IUPAC name of lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride (CID 173245454) is lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride is CCC(C)Oc1cc(OC(C)CC)c(PC(=O)c2c(OC)cccc2OC)c(OC(C)CC)c1.[H-].[Li+].
What is the InChIKey of lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride?
The InChIKey is MMQGNGUYNAFWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39O6P.Li.H/c1-9-17(4)31-20-15-23(32-18(5)10-2)26(24(16-20)33-19(6)11-3)34-27(28)25-21(29-7)13-12-14-22(25)30-8;;/h12-19,34H,9-11H2,1-8H3;;/q;+1;-1.
What are the key properties of lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride?
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride has a molecular weight of 498.53 g/mol, XLogP of 3.50, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173245454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).