tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane

C32H54O6Si — CID 135026628

About tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane

tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane (PubChem CID 135026628) has the molecular formula C32H54O6Si and a molecular weight of 562.86 g/mol. Its IUPAC name is tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane
• PubChem CID: 135026628
• Molecular Formula: C32H54O6Si
• Molecular Weight: 562.86 g/mol
• Exact Mass: 562.37
• IUPAC Name: tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane
• SMILES: COCO[C@H](/C=C/C=C(\C)[C@@H](CCCCOC1CCCCO1)OC)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
• InChI: InChI=1S/C32H54O6Si/c1-26(28(34-6)20-12-14-23-35-30-22-13-15-24-36-30)17-16-21-29(37-25-33-5)31(27-18-10-9-11-19-27)38-39(7,8)32(2,3)4/h9-11,16-19,21,28-31H,12-15,20,22-25H2,1-8H3/b21-16+,26-17+/t28-,29-,30?,31-/m1/s1
• InChIKey: VOTQTLDKGUWZJN-QDJJATSNSA-N
• XLogP: 7.97
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.86
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane (CID 135026628) is tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane is COCO[C@H](/C=C/C=C(\C)[C@@H](CCCCOC1CCCCO1)OC)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.

What is the InChIKey of tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane?

The InChIKey is VOTQTLDKGUWZJN-QDJJATSNSA-N. The full InChI is InChI=1S/C32H54O6Si/c1-26(28(34-6)20-12-14-23-35-30-22-13-15-24-36-30)17-16-21-29(37-25-33-5)31(27-18-10-9-11-19-27)38-39(7,8)32(2,3)4/h9-11,16-19,21,28-31H,12-15,20,22-25H2,1-8H3/b21-16+,26-17+/t28-,29-,30?,31-/m1/s1.

What are the key properties of tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane?

tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane has a molecular weight of 562.86 g/mol, XLogP of 7.97, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane is sourced from PubChem (CID 135026628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).