lithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide

C25H34LiO3P — CID 141015930

IUPAClithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide
SMILESCCC(C)Oc1ccc([P-]C(=O)c2c(C)cc(C)c(C)c2C)c(OC(C)CC)c1.[Li+]
InChIInChI=1S/C25H34O3P.Li/c1-9-17(5)27-21-11-12-23(22(14-21)28-18(6)10-2)29-25(26)24-16(4)13-15(3)19(7)20(24)8;/h11-14,17-18H,9-10H2,1-8H3;/q-1;+1
InChIKeyOVVRNRBEDLFDIK-UHFFFAOYSA-N
MW420.46 g/mol
LogP3.69
Rot. Bonds9

About lithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide

lithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide (PubChem CID 141015930) has the molecular formula C25H34LiO3P and a molecular weight of 420.46 g/mol. Its IUPAC name is lithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide.

Molecular Properties

Compound Namelithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide
PubChem CID141015930
Molecular FormulaC25H34LiO3P
Molecular Weight420.46 g/mol
Exact Mass420.24
IUPAC Namelithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide
SMILESCCC(C)Oc1ccc([P-]C(=O)c2c(C)cc(C)c(C)c2C)c(OC(C)CC)c1.[Li+]
InChIInChI=1S/C25H34O3P.Li/c1-9-17(5)27-21-11-12-23(22(14-21)28-18(6)10-2)29-25(26)24-16(4)13-15(3)19(7)20(24)8;/h11-14,17-18H,9-10H2,1-8H3;/q-1;+1
InChIKeyOVVRNRBEDLFDIK-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide?
The IUPAC name of lithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide (CID 141015930) is lithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide.
What is the SMILES notation for lithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide?
The canonical SMILES for lithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide is CCC(C)Oc1ccc([P-]C(=O)c2c(C)cc(C)c(C)c2C)c(OC(C)CC)c1.[Li+].
What is the InChIKey of lithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide?
The InChIKey is OVVRNRBEDLFDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O3P.Li/c1-9-17(5)27-21-11-12-23(22(14-21)28-18(6)10-2)29-25(26)24-16(4)13-15(3)19(7)20(24)8;/h11-14,17-18H,9-10H2,1-8H3;/q-1;+1.
What are the key properties of lithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide?
lithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide has a molecular weight of 420.46 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide is sourced from PubChem (CID 141015930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).