3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

C27H41NO4Si — CID 102037754

About 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 102037754) has the molecular formula C27H41NO4Si and a molecular weight of 471.71 g/mol. Its IUPAC name is 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
• PubChem CID: 102037754
• Molecular Formula: C27H41NO4Si
• Molecular Weight: 471.71 g/mol
• Exact Mass: 471.28
• IUPAC Name: 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
• SMILES: CC(C)[Si](OC1=C[C@H](c2ccccc2)[C@@H](C(=O)N2CCOC2=O)[C@H](C)[C@@H]1C)(C(C)C)C(C)C
• InChI: InChI=1S/C27H41NO4Si/c1-17(2)33(18(3)4,19(5)6)32-24-16-23(22-12-10-9-11-13-22)25(21(8)20(24)7)26(29)28-14-15-31-27(28)30/h9-13,16-21,23,25H,14-15H2,1-8H3/t20-,21+,23+,25-/m0/s1
• InChIKey: AUMPDKICBICKEN-JIEYXDDVSA-N
• XLogP: 6.73
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.71
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (CID 102037754) is 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is CC(C)[Si](OC1=C[C@H](c2ccccc2)[C@@H](C(=O)N2CCOC2=O)[C@H](C)[C@@H]1C)(C(C)C)C(C)C.

What is the InChIKey of 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?

The InChIKey is AUMPDKICBICKEN-JIEYXDDVSA-N. The full InChI is InChI=1S/C27H41NO4Si/c1-17(2)33(18(3)4,19(5)6)32-24-16-23(22-12-10-9-11-13-22)25(21(8)20(24)7)26(29)28-14-15-31-27(28)30/h9-13,16-21,23,25H,14-15H2,1-8H3/t20-,21+,23+,25-/m0/s1.

What are the key properties of 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?

3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 471.71 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102037754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).