[(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

About [(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

[(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 (PubChem CID 15400861) has the molecular formula C34H51NO5Si and a molecular weight of 581.87 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name	[(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
PubChem CID	15400861
Molecular Formula	C34H51NO5Si
Molecular Weight	581.87 g/mol
Exact Mass	581.35
IUPAC Name	[(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
SMILES	CC(C)[Si](C1=CN(C(=O)O[C@H]2CCCC[C@@H]2C(C)(C)c2ccccc2)[C@H]([C@@H]2CCC(=O)O2)CC1=O)(C(C)C)C(C)C
InChI	InChI=1S/C34H51NO5Si/c1-22(2)41(23(3)4,24(5)6)31-21-35(27(20-28(31)36)30-18-19-32(37)39-30)33(38)40-29-17-13-12-16-26(29)34(7,8)25-14-10-9-11-15-25/h9-11,14-15,21-24,26-27,29-30H,12-13,16-20H2,1-8H3/t26-,27-,29-,30-/m0/s1
InChIKey	IAWFVQRKDDTCGH-ZHTHUIBPSA-N
XLogP	8.11
TPSA	72.91 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.87
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(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?

The IUPAC name of [(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) is [(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.

What is the SMILES notation for [(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?

The canonical SMILES for [(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 is CC(C)[Si](C1=CN(C(=O)O[C@H]2CCCC[C@@H]2C(C)(C)c2ccccc2)[C@H]([C@@H]2CCC(=O)O2)CC1=O)(C(C)C)C(C)C.

What is the InChIKey of [(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?

The InChIKey is IAWFVQRKDDTCGH-ZHTHUIBPSA-N. The full InChI is InChI=1S/C34H51NO5Si/c1-22(2)41(23(3)4,24(5)6)31-21-35(27(20-28(31)36)30-18-19-32(37)39-30)33(38)40-29-17-13-12-16-26(29)34(7,8)25-14-10-9-11-15-25/h9-11,14-15,21-24,26-27,29-30H,12-13,16-20H2,1-8H3/t26-,27-,29-,30-/m0/s1.

What are the key properties of [(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?

[(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 has a molecular weight of 581.87 g/mol, XLogP of 8.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(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 is sourced from PubChem (CID 15400861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).