tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane

C35H48O5Si — CID 124629299

About tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane

tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane (PubChem CID 124629299) has the molecular formula C35H48O5Si and a molecular weight of 576.85 g/mol. Its IUPAC name is tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane
• PubChem CID: 124629299
• Molecular Formula: C35H48O5Si
• Molecular Weight: 576.85 g/mol
• Exact Mass: 576.33
• IUPAC Name: tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane
• SMILES: COc1c(C)c(C/C=C(/C)CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(OC)c(OC)c1OC
• InChI: InChI=1S/C35H48O5Si/c1-26(23-24-30-27(2)31(36-6)33(38-8)34(39-9)32(30)37-7)18-16-17-25-40-41(35(3,4)5,28-19-12-10-13-20-28)29-21-14-11-15-22-29/h10-15,19-23H,16-18,24-25H2,1-9H3/b26-23-
• InChIKey: YHKKAQITXCIVCO-RWEWTDSWSA-N
• XLogP: 7.27
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.85
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane (CID 124629299) is tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane.

What is the SMILES notation for tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane?

The canonical SMILES for tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane is COc1c(C)c(C/C=C(/C)CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(OC)c(OC)c1OC.

What is the InChIKey of tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane?

The InChIKey is YHKKAQITXCIVCO-RWEWTDSWSA-N. The full InChI is InChI=1S/C35H48O5Si/c1-26(23-24-30-27(2)31(36-6)33(38-8)34(39-9)32(30)37-7)18-16-17-25-40-41(35(3,4)5,28-19-12-10-13-20-28)29-21-14-11-15-22-29/h10-15,19-23H,16-18,24-25H2,1-9H3/b26-23-.

What are the key properties of tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane?

tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane has a molecular weight of 576.85 g/mol, XLogP of 7.27, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(Z)-5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)hept-5-enoxy]-diphenylsilane is sourced from PubChem (CID 124629299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).