4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol

C34H40O3Si — CID 23728259

About 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol

4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol (PubChem CID 23728259) has the molecular formula C34H40O3Si and a molecular weight of 524.78 g/mol. Its IUPAC name is 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol.

Molecular Properties

• Compound Name: 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol
• PubChem CID: 23728259
• Molecular Formula: C34H40O3Si
• Molecular Weight: 524.78 g/mol
• Exact Mass: 524.27
• IUPAC Name: 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol
• SMILES: C=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1=CCOC1CC/C(C)=C/c1ccc(O)cc1
• InChI: InChI=1S/C34H40O3Si/c1-26(24-28-17-19-29(35)20-18-28)16-21-33-32(22-23-36-33)27(2)25-37-38(34(3,4)5,30-12-8-6-9-13-30)31-14-10-7-11-15-31/h6-15,17-20,22,24,33,35H,2,16,21,23,25H2,1,3-5H3/b26-24+
• InChIKey: PABZVUZBLPCKKO-SHHOIMCASA-N
• XLogP: 7.03
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.78
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol?

The IUPAC name of 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol (CID 23728259) is 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol.

What is the SMILES notation for 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol?

The canonical SMILES for 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol is C=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1=CCOC1CC/C(C)=C/c1ccc(O)cc1.

What is the InChIKey of 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol?

The InChIKey is PABZVUZBLPCKKO-SHHOIMCASA-N. The full InChI is InChI=1S/C34H40O3Si/c1-26(24-28-17-19-29(35)20-18-28)16-21-33-32(22-23-36-33)27(2)25-37-38(34(3,4)5,30-12-8-6-9-13-30)31-14-10-7-11-15-31/h6-15,17-20,22,24,33,35H,2,16,21,23,25H2,1,3-5H3/b26-24+.

What are the key properties of 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol?

4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol has a molecular weight of 524.78 g/mol, XLogP of 7.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]phenol is sourced from PubChem (CID 23728259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).