(3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one

C22H33NO2Si — CID 101353406

About (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one

(3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one (PubChem CID 101353406) has the molecular formula C22H33NO2Si and a molecular weight of 371.60 g/mol. Its IUPAC name is (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one.

Molecular Properties

• Compound Name: (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one
• PubChem CID: 101353406
• Molecular Formula: C22H33NO2Si
• Molecular Weight: 371.60 g/mol
• Exact Mass: 371.23
• IUPAC Name: (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one
• SMILES: C=CCC(O[Si](C)(C)C(C)(C)C)[C@@H]1[C@@H](c2ccccc2)C(=O)N1CC=C
• InChI: InChI=1S/C22H33NO2Si/c1-8-13-18(25-26(6,7)22(3,4)5)20-19(17-14-11-10-12-15-17)21(24)23(20)16-9-2/h8-12,14-15,18-20H,1-2,13,16H2,3-7H3/t18?,19-,20-/m1/s1
• InChIKey: MQTDVOJSDDRQRT-FXJNCMGBSA-N
• XLogP: 5.13
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	371.60
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one?

The IUPAC name of (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one (CID 101353406) is (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one.

What is the SMILES notation for (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one?

The canonical SMILES for (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one is C=CCC(O[Si](C)(C)C(C)(C)C)[C@@H]1[C@@H](c2ccccc2)C(=O)N1CC=C.

What is the InChIKey of (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one?

The InChIKey is MQTDVOJSDDRQRT-FXJNCMGBSA-N. The full InChI is InChI=1S/C22H33NO2Si/c1-8-13-18(25-26(6,7)22(3,4)5)20-19(17-14-11-10-12-15-17)21(24)23(20)16-9-2/h8-12,14-15,18-20H,1-2,13,16H2,3-7H3/t18?,19-,20-/m1/s1.

What are the key properties of (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one?

(3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one has a molecular weight of 371.60 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-3-phenyl-1-prop-2-enylazetidin-2-one is sourced from PubChem (CID 101353406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).