4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one

C38H43NO4Si — CID 139254690

IUPAC4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one
SMILESCCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](C(=O)N1C(=O)OCC1(C)C)c1ccccc1
InChIInChI=1S/C38H43NO4Si/c1-4-5-6-19-28-34(35(30-20-11-7-12-21-30)36(40)39-37(41)42-29-38(39,2)3)43-44(31-22-13-8-14-23-31,32-24-15-9-16-25-32)33-26-17-10-18-27-33/h7-18,20-27,34-35H,4-6,19,28-29H2,1-3H3/t34-,35-/m1/s1
InChIKeyXOGSQHWXMPUVST-VSJLXWSYSA-N
MW605.85 g/mol
LogP6.55
Rot. Bonds13

About 4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one

4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one (PubChem CID 139254690) has the molecular formula C38H43NO4Si and a molecular weight of 605.85 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one
PubChem CID139254690
Molecular FormulaC38H43NO4Si
Molecular Weight605.85 g/mol
Exact Mass605.30
IUPAC Name4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one
SMILESCCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](C(=O)N1C(=O)OCC1(C)C)c1ccccc1
InChIInChI=1S/C38H43NO4Si/c1-4-5-6-19-28-34(35(30-20-11-7-12-21-30)36(40)39-37(41)42-29-38(39,2)3)43-44(31-22-13-8-14-23-31,32-24-15-9-16-25-32)33-26-17-10-18-27-33/h7-18,20-27,34-35H,4-6,19,28-29H2,1-3H3/t34-,35-/m1/s1
InChIKeyXOGSQHWXMPUVST-VSJLXWSYSA-N
XLogP6.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.85
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one 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 4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one (CID 139254690) is 4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one is CCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](C(=O)N1C(=O)OCC1(C)C)c1ccccc1.
What is the InChIKey of 4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
The InChIKey is XOGSQHWXMPUVST-VSJLXWSYSA-N. The full InChI is InChI=1S/C38H43NO4Si/c1-4-5-6-19-28-34(35(30-20-11-7-12-21-30)36(40)39-37(41)42-29-38(39,2)3)43-44(31-22-13-8-14-23-31,32-24-15-9-16-25-32)33-26-17-10-18-27-33/h7-18,20-27,34-35H,4-6,19,28-29H2,1-3H3/t34-,35-/m1/s1.
What are the key properties of 4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one?
4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one has a molecular weight of 605.85 g/mol, XLogP of 6.55, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139254690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).