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

C35H41ClO3Si — CID 23746621

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

4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-ethylbut-1-enyl]-3-chlorophenol (PubChem CID 23746621) has the molecular formula C35H41ClO3Si and a molecular weight of 573.25 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-ethylbut-1-enyl]-3-chlorophenol.

Molecular Properties

• Compound Name: 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-ethylbut-1-enyl]-3-chlorophenol
• PubChem CID: 23746621
• Molecular Formula: C35H41ClO3Si
• Molecular Weight: 573.25 g/mol
• Exact Mass: 572.25
• IUPAC Name: 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-ethylbut-1-enyl]-3-chlorophenol
• SMILES: C=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1=CCOC1CC/C(=C/c1ccc(O)cc1Cl)CC
• InChI: InChI=1S/C35H41ClO3Si/c1-6-27(23-28-18-19-29(37)24-33(28)36)17-20-34-32(21-22-38-34)26(2)25-39-40(35(3,4)5,30-13-9-7-10-14-30)31-15-11-8-12-16-31/h7-16,18-19,21,23-24,34,37H,2,6,17,20,22,25H2,1,3-5H3/b27-23+
• InChIKey: LUEZNSDFNXMROO-SLEBQGDGSA-N
• XLogP: 8.08
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.25
LogP ≤ 5	8.08
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-ethylbut-1-enyl]-3-chlorophenol?

The IUPAC name of 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-ethylbut-1-enyl]-3-chlorophenol (CID 23746621) is 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-ethylbut-1-enyl]-3-chlorophenol.

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-ethylbut-1-enyl]-3-chlorophenol?

The canonical SMILES for 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-ethylbut-1-enyl]-3-chlorophenol is C=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1=CCOC1CC/C(=C/c1ccc(O)cc1Cl)CC.

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-ethylbut-1-enyl]-3-chlorophenol?

The InChIKey is LUEZNSDFNXMROO-SLEBQGDGSA-N. The full InChI is InChI=1S/C35H41ClO3Si/c1-6-27(23-28-18-19-29(37)24-33(28)36)17-20-34-32(21-22-38-34)26(2)25-39-40(35(3,4)5,30-13-9-7-10-14-30)31-15-11-8-12-16-31/h7-16,18-19,21,23-24,34,37H,2,6,17,20,22,25H2,1,3-5H3/b27-23+.

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-ethylbut-1-enyl]-3-chlorophenol?

4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-ethylbut-1-enyl]-3-chlorophenol has a molecular weight of 573.25 g/mol, XLogP of 8.08, 11 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-ethylbut-1-enyl]-3-chlorophenol is sourced from PubChem (CID 23746621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).