(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol

C₁₈H₃₀O₂Si — CID 66573505

About (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol

(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol (PubChem CID 66573505) has the molecular formula C₁₈H₃₀O₂Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol.

Molecular Properties

• Compound Name: (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
• PubChem CID: 66573505
• Molecular Formula: C₁₈H₃₀O₂Si
• Molecular Weight: 306.52 g/mol
• Exact Mass: 306.20
• IUPAC Name: (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
• SMILES: C[C@@H](/C=C/C[C@@H](O)c1ccccc1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C18H30O2Si/c1-15(20-21(5,6)18(2,3)4)11-10-14-17(19)16-12-8-7-9-13-16/h7-13,15,17,19H,14H2,1-6H3/b11-10+/t15-,17+/m0/s1
• InChIKey: HCEQOIGZUJJQAU-ALZIZJOTSA-N
• XLogP: 5.08
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	306.52
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
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 (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol?

The IUPAC name of (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol (CID 66573505) is (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol.

What is the SMILES notation for (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol?

The canonical SMILES for (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol is C[C@@H](/C=C/C[C@@H](O)c1ccccc1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol?

The InChIKey is HCEQOIGZUJJQAU-ALZIZJOTSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-15(20-21(5,6)18(2,3)4)11-10-14-17(19)16-12-8-7-9-13-16/h7-13,15,17,19H,14H2,1-6H3/b11-10+/t15-,17+/m0/s1.

What are the key properties of (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol?

(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol has a molecular weight of 306.52 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol is sourced from PubChem (CID 66573505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66573505 — identifiers, structure, computed properties (public domain)

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