[2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate

C29H39NO3Si — CID 101206922

IUPAC[2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(c1ccccc1)C1CCCCC1OC(=O)N1C=C[C@@H](O)C[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C29H39NO3Si/c1-29(2,22-13-7-5-8-14-22)25-17-11-12-18-26(25)33-28(32)30-20-19-23(31)21-27(30)34(3,4)24-15-9-6-10-16-24/h5-10,13-16,19-20,23,25-27,31H,11-12,17-18,21H2,1-4H3/t23-,25?,26?,27-/m1/s1
InChIKeyWRRHEDSCDWDRBQ-JNRABUSHSA-N
MW477.72 g/mol
LogP5.76
Rot. Bonds5

About [2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate

[2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 101206922) has the molecular formula C29H39NO3Si and a molecular weight of 477.72 g/mol. Its IUPAC name is [2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Name[2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID101206922
Molecular FormulaC29H39NO3Si
Molecular Weight477.72 g/mol
Exact Mass477.27
IUPAC Name[2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(c1ccccc1)C1CCCCC1OC(=O)N1C=C[C@@H](O)C[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C29H39NO3Si/c1-29(2,22-13-7-5-8-14-22)25-17-11-12-18-26(25)33-28(32)30-20-19-23(31)21-27(30)34(3,4)24-15-9-6-10-16-24/h5-10,13-16,19-20,23,25-27,31H,11-12,17-18,21H2,1-4H3/t23-,25?,26?,27-/m1/s1
InChIKeyWRRHEDSCDWDRBQ-JNRABUSHSA-N
XLogP5.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.72
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-4-oxo-2-triphenylsilyl-2,3-dihydropyridine-1-carboxylate
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[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-4-oxo-2-[(2S)-5-oxooxolan-2-yl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate
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[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate
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[(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-4-oxo-2-[(1R)-2-oxo-1,3-bis(phenylmethoxy)propyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate
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[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-[[(4aR,5R,7S,8aS)-1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl]methyl]-4-oxo-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of [2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate (CID 101206922) is [2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for [2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for [2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate is CC(C)(c1ccccc1)C1CCCCC1OC(=O)N1C=C[C@@H](O)C[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of [2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is WRRHEDSCDWDRBQ-JNRABUSHSA-N. The full InChI is InChI=1S/C29H39NO3Si/c1-29(2,22-13-7-5-8-14-22)25-17-11-12-18-26(25)33-28(32)30-20-19-23(31)21-27(30)34(3,4)24-15-9-6-10-16-24/h5-10,13-16,19-20,23,25-27,31H,11-12,17-18,21H2,1-4H3/t23-,25?,26?,27-/m1/s1.
What are the key properties of [2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate?
[2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 477.72 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylpropan-2-yl)cyclohexyl] (2R,4S)-2-[dimethyl(phenyl)silyl]-4-hydroxy-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 101206922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).