trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane

C31H38N2O3Si — CID 134838472

About trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane

trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane (PubChem CID 134838472) has the molecular formula C31H38N2O3Si and a molecular weight of 514.74 g/mol. Its IUPAC name is trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane.

Molecular Properties

• Compound Name: trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane
• PubChem CID: 134838472
• Molecular Formula: C31H38N2O3Si
• Molecular Weight: 514.74 g/mol
• Exact Mass: 514.27
• IUPAC Name: trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane
• SMILES: C[C@H]1C(N2CCC[C@H]2C(O[Si](C)(C)C)(c2ccccc2)c2ccccc2)O[N+]([O-])=C[C@@H]1c1ccccc1
• InChI: InChI=1S/C31H38N2O3Si/c1-24-28(25-15-8-5-9-16-25)23-33(34)35-30(24)32-22-14-21-29(32)31(36-37(2,3)4,26-17-10-6-11-18-26)27-19-12-7-13-20-27/h5-13,15-20,23-24,28-30H,14,21-22H2,1-4H3/t24-,28+,29+,30?/m1/s1
• InChIKey: ZWXPHIRDOWBYLZ-KHYBTIFKSA-N
• XLogP: 6.52
• TPSA: 47.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.74
LogP ≤ 5	6.52
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 trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane?

The IUPAC name of trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane (CID 134838472) is trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane.

What is the SMILES notation for trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane?

The canonical SMILES for trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane is C[C@H]1C(N2CCC[C@H]2C(O[Si](C)(C)C)(c2ccccc2)c2ccccc2)O[N+]([O-])=C[C@@H]1c1ccccc1.

What is the InChIKey of trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane?

The InChIKey is ZWXPHIRDOWBYLZ-KHYBTIFKSA-N. The full InChI is InChI=1S/C31H38N2O3Si/c1-24-28(25-15-8-5-9-16-25)23-33(34)35-30(24)32-22-14-21-29(32)31(36-37(2,3)4,26-17-10-6-11-18-26)27-19-12-7-13-20-27/h5-13,15-20,23-24,28-30H,14,21-22H2,1-4H3/t24-,28+,29+,30?/m1/s1.

What are the key properties of trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane?

trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane has a molecular weight of 514.74 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[[(2S)-1-[(4S,5R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane is sourced from PubChem (CID 134838472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).