4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-iodo-6-methoxyphenol

C35H41IO4Si — CID 23775769

About 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-iodo-6-methoxyphenol

4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-iodo-6-methoxyphenol (PubChem CID 23775769) has the molecular formula C35H41IO4Si and a molecular weight of 680.70 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]-2-iodo-6-methoxyphenol.

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]-2-iodo-6-methoxyphenol
• PubChem CID: 23775769
• Molecular Formula: C35H41IO4Si
• Molecular Weight: 680.70 g/mol
• Exact Mass: 680.18
• 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]-2-iodo-6-methoxyphenol
• SMILES: C=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1=CCOC1CC/C(C)=C/c1cc(I)c(O)c(OC)c1
• InChI: InChI=1S/C35H41IO4Si/c1-25(21-27-22-31(36)34(37)33(23-27)38-6)17-18-32-30(19-20-39-32)26(2)24-40-41(35(3,4)5,28-13-9-7-10-14-28)29-15-11-8-12-16-29/h7-16,19,21-23,32,37H,2,17-18,20,24H2,1,3-6H3/b25-21+
• InChIKey: AVSODZNAJBPXHP-NJNXFGOHSA-N
• XLogP: 7.65
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.70
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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]-2-iodo-6-methoxyphenol?

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]-2-iodo-6-methoxyphenol (CID 23775769) is 4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-iodo-6-methoxyphenol.

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]-2-iodo-6-methoxyphenol?

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]-2-iodo-6-methoxyphenol is C=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1=CCOC1CC/C(C)=C/c1cc(I)c(O)c(OC)c1.

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]-2-iodo-6-methoxyphenol?

The InChIKey is AVSODZNAJBPXHP-NJNXFGOHSA-N. The full InChI is InChI=1S/C35H41IO4Si/c1-25(21-27-22-31(36)34(37)33(23-27)38-6)17-18-32-30(19-20-39-32)26(2)24-40-41(35(3,4)5,28-13-9-7-10-14-28)29-15-11-8-12-16-29/h7-16,19,21-23,32,37H,2,17-18,20,24H2,1,3-6H3/b25-21+.

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]-2-iodo-6-methoxyphenol?

4-[(E)-4-[3-[3-[tert-butyl(diphenyl)silyl]oxyprop-1-en-2-yl]-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-iodo-6-methoxyphenol has a molecular weight of 680.70 g/mol, XLogP of 7.65, 11 rotatable bonds, 1 hydrogen bond donors, and 4 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]-2-iodo-6-methoxyphenol is sourced from PubChem (CID 23775769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).