[6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienyl] 2,2-dimethylpropanoate

C33H52O6Si — CID 68713661

About [6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienyl] 2,2-dimethylpropanoate

[6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienyl] 2,2-dimethylpropanoate (PubChem CID 68713661) has the molecular formula C33H52O6Si and a molecular weight of 572.86 g/mol. Its IUPAC name is [6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienyl] 2,2-dimethylpropanoate
• PubChem CID: 68713661
• Molecular Formula: C33H52O6Si
• Molecular Weight: 572.86 g/mol
• Exact Mass: 572.35
• IUPAC Name: [6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienyl] 2,2-dimethylpropanoate
• SMILES: COc1ccc(COC(CC=CCOC(=O)C(C)(C)C)C(C=CC2CC(C)=CCO2)O[Si](C)(C)C(C)(C)C)cc1
• InChI: InChI=1S/C33H52O6Si/c1-25-20-22-36-28(23-25)18-19-30(39-40(9,10)33(5,6)7)29(13-11-12-21-37-31(34)32(2,3)4)38-24-26-14-16-27(35-8)17-15-26/h11-12,14-20,28-30H,13,21-24H2,1-10H3
• InChIKey: URBMBOYZKBVHST-UHFFFAOYSA-N
• XLogP: 7.80
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.86
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 [6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienyl] 2,2-dimethylpropanoate?

The IUPAC name of [6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienyl] 2,2-dimethylpropanoate (CID 68713661) is [6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienyl] 2,2-dimethylpropanoate?

The canonical SMILES for [6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienyl] 2,2-dimethylpropanoate is COc1ccc(COC(CC=CCOC(=O)C(C)(C)C)C(C=CC2CC(C)=CCO2)O[Si](C)(C)C(C)(C)C)cc1.

What is the InChIKey of [6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienyl] 2,2-dimethylpropanoate?

The InChIKey is URBMBOYZKBVHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52O6Si/c1-25-20-22-36-28(23-25)18-19-30(39-40(9,10)33(5,6)7)29(13-11-12-21-37-31(34)32(2,3)4)38-24-26-14-16-27(35-8)17-15-26/h11-12,14-20,28-30H,13,21-24H2,1-10H3.

What are the key properties of [6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienyl] 2,2-dimethylpropanoate?

[6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienyl] 2,2-dimethylpropanoate has a molecular weight of 572.86 g/mol, XLogP of 7.80, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-8-(4-methyl-3,6-dihydro-2H-pyran-2-yl)octa-2,7-dienyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 68713661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).