[(2S)-1-phenylpent-4-en-2-yl] (3E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-3,5-dienoate

C23H34O3Si — CID 101366605

About [(2S)-1-phenylpent-4-en-2-yl] (3E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-3,5-dienoate

[(2S)-1-phenylpent-4-en-2-yl] (3E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-3,5-dienoate (PubChem CID 101366605) has the molecular formula C23H34O3Si and a molecular weight of 386.61 g/mol. Its IUPAC name is [(2S)-1-phenylpent-4-en-2-yl] (3E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-3,5-dienoate.

Molecular Properties

• Compound Name: [(2S)-1-phenylpent-4-en-2-yl] (3E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-3,5-dienoate
• PubChem CID: 101366605
• Molecular Formula: C23H34O3Si
• Molecular Weight: 386.61 g/mol
• Exact Mass: 386.23
• IUPAC Name: [(2S)-1-phenylpent-4-en-2-yl] (3E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-3,5-dienoate
• SMILES: C=C/C=C(\CC(=O)O[C@@H](CC=C)Cc1ccccc1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C23H34O3Si/c1-8-13-20(17-19-15-11-10-12-16-19)25-22(24)18-21(14-9-2)26-27(6,7)23(3,4)5/h8-12,14-16,20H,1-2,13,17-18H2,3-7H3/b21-14+/t20-/m0/s1
• InChIKey: MJDCAGNJPVNKIK-LQOIVRHRSA-N
• XLogP: 6.20
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.61
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-phenylpent-4-en-2-yl] (3E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-3,5-dienoate?

The IUPAC name of [(2S)-1-phenylpent-4-en-2-yl] (3E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-3,5-dienoate (CID 101366605) is [(2S)-1-phenylpent-4-en-2-yl] (3E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-3,5-dienoate.

What is the SMILES notation for [(2S)-1-phenylpent-4-en-2-yl] (3E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-3,5-dienoate?

The canonical SMILES for [(2S)-1-phenylpent-4-en-2-yl] (3E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-3,5-dienoate is C=C/C=C(\CC(=O)O[C@@H](CC=C)Cc1ccccc1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(2S)-1-phenylpent-4-en-2-yl] (3E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-3,5-dienoate?

The InChIKey is MJDCAGNJPVNKIK-LQOIVRHRSA-N. The full InChI is InChI=1S/C23H34O3Si/c1-8-13-20(17-19-15-11-10-12-16-19)25-22(24)18-21(14-9-2)26-27(6,7)23(3,4)5/h8-12,14-16,20H,1-2,13,17-18H2,3-7H3/b21-14+/t20-/m0/s1.

What are the key properties of [(2S)-1-phenylpent-4-en-2-yl] (3E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-3,5-dienoate?

[(2S)-1-phenylpent-4-en-2-yl] (3E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-3,5-dienoate has a molecular weight of 386.61 g/mol, XLogP of 6.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-phenylpent-4-en-2-yl] (3E)-3-[tert-butyl(dimethyl)silyl]oxyhexa-3,5-dienoate is sourced from PubChem (CID 101366605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).