[(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate

C34H51NO4Si — CID 10940745

IUPAC[(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate
SMILESCC(C)c1ccccc1[C@@H]1CCCC[C@H]1OC(=O)N1C=C([Si](C(C)C)(C(C)C)C(C)C)C(=O)C[C@H]1[C@@H]1CCC1=O
InChIInChI=1S/C34H51NO4Si/c1-21(2)25-13-9-10-14-26(25)27-15-11-12-16-32(27)39-34(38)35-20-33(40(22(3)4,23(5)6)24(7)8)31(37)19-29(35)28-17-18-30(28)36/h9-10,13-14,20-24,27-29,32H,11-12,15-19H2,1-8H3/t27-,28-,29-,32+/m0/s1
InChIKeyUZTHUZVBSQARFG-XNVUGOGWSA-N
MW565.87 g/mol
LogP8.70
Rot. Bonds8

About [(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate

[(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate (PubChem CID 10940745) has the molecular formula C34H51NO4Si and a molecular weight of 565.87 g/mol. Its IUPAC name is [(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Name[(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate
PubChem CID10940745
Molecular FormulaC34H51NO4Si
Molecular Weight565.87 g/mol
Exact Mass565.36
IUPAC Name[(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate
SMILESCC(C)c1ccccc1[C@@H]1CCCC[C@H]1OC(=O)N1C=C([Si](C(C)C)(C(C)C)C(C)C)C(=O)C[C@H]1[C@@H]1CCC1=O
InChIInChI=1S/C34H51NO4Si/c1-21(2)25-13-9-10-14-26(25)27-15-11-12-16-32(27)39-34(38)35-20-33(40(22(3)4,23(5)6)24(7)8)31(37)19-29(35)28-17-18-30(28)36/h9-10,13-14,20-24,27-29,32H,11-12,15-19H2,1-8H3/t27-,28-,29-,32+/m0/s1
InChIKeyUZTHUZVBSQARFG-XNVUGOGWSA-N
XLogP8.70
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.87
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(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
CID 15400861
[(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] 4-methoxy-3-tri(propan-2-yl)silylpyridin-1-ium-1-carboxylate
CID 11135368
[(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
CID 100968199
[(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
CID 57341372
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-methylphenyl)-4-oxo-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate
CID 102268258
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-4-oxo-2-phenyl-5-trimethylsilyl-2,3-dihydropyridine-1-carboxylate
CID 14571479
tert-butyl 2-(2-propan-2-ylphenyl)pyrrolidine-1-carboxylate
CID 155600402
cyclohexyl-(2-propan-2-ylphenyl)methanone
CID 146007151
[16-(2-propan-2-ylbenzoyl)oxy-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] 2-propan-2-ylbenzoate
CID 170936738
(4aS,8aR)-1-benzoyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
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CID 156889648
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CID 53437883

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of [(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate (CID 10940745) is [(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for [(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for [(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate is CC(C)c1ccccc1[C@@H]1CCCC[C@H]1OC(=O)N1C=C([Si](C(C)C)(C(C)C)C(C)C)C(=O)C[C@H]1[C@@H]1CCC1=O.
What is the InChIKey of [(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate?
The InChIKey is UZTHUZVBSQARFG-XNVUGOGWSA-N. The full InChI is InChI=1S/C34H51NO4Si/c1-21(2)25-13-9-10-14-26(25)27-15-11-12-16-32(27)39-34(38)35-20-33(40(22(3)4,23(5)6)24(7)8)31(37)19-29(35)28-17-18-30(28)36/h9-10,13-14,20-24,27-29,32H,11-12,15-19H2,1-8H3/t27-,28-,29-,32+/m0/s1.
What are the key properties of [(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate?
[(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate has a molecular weight of 565.87 g/mol, XLogP of 8.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(2-propan-2-ylphenyl)cyclohexyl] (2S)-4-oxo-2-[(1S)-2-oxocyclobutyl]-5-tri(propan-2-yl)silyl-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 10940745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).