4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one

C29H45NO3Si — CID 134871747

IUPAC4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one
SMILESCC[C@@H](C)CCCCC[C@H]1CO[C@@H](c2c(O)c(-c3ccccc3)cn([Si](C)(C)C)c2=O)[C@H](C)C1
InChIInChI=1S/C29H45NO3Si/c1-7-21(2)14-10-8-11-15-23-18-22(3)28(33-20-23)26-27(31)25(24-16-12-9-13-17-24)19-30(29(26)32)34(4,5)6/h9,12-13,16-17,19,21-23,28,31H,7-8,10-11,14-15,18,20H2,1-6H3/t21-,22-,23-,28-/m1/s1
InChIKeyAWZLRFKVYTWRGB-TZTMDHJLSA-N
MW483.77 g/mol
LogP7.61
Rot. Bonds10

About 4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one

4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one (PubChem CID 134871747) has the molecular formula C29H45NO3Si and a molecular weight of 483.77 g/mol. Its IUPAC name is 4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one
PubChem CID134871747
Molecular FormulaC29H45NO3Si
Molecular Weight483.77 g/mol
Exact Mass483.32
IUPAC Name4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one
SMILESCC[C@@H](C)CCCCC[C@H]1CO[C@@H](c2c(O)c(-c3ccccc3)cn([Si](C)(C)C)c2=O)[C@H](C)C1
InChIInChI=1S/C29H45NO3Si/c1-7-21(2)14-10-8-11-15-23-18-22(3)28(33-20-23)26-27(31)25(24-16-12-9-13-17-24)19-30(29(26)32)34(4,5)6/h9,12-13,16-17,19,21-23,28,31H,7-8,10-11,14-15,18,20H2,1-6H3/t21-,22-,23-,28-/m1/s1
InChIKeyAWZLRFKVYTWRGB-TZTMDHJLSA-N
XLogP7.61
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.77
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-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-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one (CID 134871747) is 4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one is CC[C@@H](C)CCCCC[C@H]1CO[C@@H](c2c(O)c(-c3ccccc3)cn([Si](C)(C)C)c2=O)[C@H](C)C1.
What is the InChIKey of 4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one?
The InChIKey is AWZLRFKVYTWRGB-TZTMDHJLSA-N. The full InChI is InChI=1S/C29H45NO3Si/c1-7-21(2)14-10-8-11-15-23-18-22(3)28(33-20-23)26-27(31)25(24-16-12-9-13-17-24)19-30(29(26)32)34(4,5)6/h9,12-13,16-17,19,21-23,28,31H,7-8,10-11,14-15,18,20H2,1-6H3/t21-,22-,23-,28-/m1/s1.
What are the key properties of 4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one?
4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one has a molecular weight of 483.77 g/mol, XLogP of 7.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(2R,3R,5R)-3-methyl-5-[(6R)-6-methyloctyl]oxan-2-yl]-5-phenyl-1-trimethylsilylpyridin-2-one is sourced from PubChem (CID 134871747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).