[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate

C20H30F3NO2Si — CID 135079010

About [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate

[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate (PubChem CID 135079010) has the molecular formula C20H30F3NO2Si and a molecular weight of 401.55 g/mol. Its IUPAC name is [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate.

Molecular Properties

• Compound Name: [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
• PubChem CID: 135079010
• Molecular Formula: C20H30F3NO2Si
• Molecular Weight: 401.55 g/mol
• Exact Mass: 401.20
• IUPAC Name: [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
• SMILES: CC(C)(C)[Si](C)(C)OC/C=C\CO/C(=N\CCc1ccccc1)C(F)(F)F
• InChI: InChI=1S/C20H30F3NO2Si/c1-19(2,3)27(4,5)26-16-10-9-15-25-18(20(21,22)23)24-14-13-17-11-7-6-8-12-17/h6-12H,13-16H2,1-5H3/b10-9-,24-18-
• InChIKey: YOASFZGTMQSXAR-YDAGOXPZSA-N
• XLogP: 5.78
• TPSA: 30.82 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.55
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate?

The IUPAC name of [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate (CID 135079010) is [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate.

What is the SMILES notation for [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate?

The canonical SMILES for [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate is CC(C)(C)[Si](C)(C)OC/C=C\CO/C(=N\CCc1ccccc1)C(F)(F)F.

What is the InChIKey of [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate?

The InChIKey is YOASFZGTMQSXAR-YDAGOXPZSA-N. The full InChI is InChI=1S/C20H30F3NO2Si/c1-19(2,3)27(4,5)26-16-10-9-15-25-18(20(21,22)23)24-14-13-17-11-7-6-8-12-17/h6-12H,13-16H2,1-5H3/b10-9-,24-18-.

What are the key properties of [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate?

[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate has a molecular weight of 401.55 g/mol, XLogP of 5.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate is sourced from PubChem (CID 135079010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).