(E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol

C34H56O4Si2 — CID 57387274

About (E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol

(E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol (PubChem CID 57387274) has the molecular formula C34H56O4Si2 and a molecular weight of 584.99 g/mol. Its IUPAC name is (E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol.

Molecular Properties

• Compound Name: (E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol
• PubChem CID: 57387274
• Molecular Formula: C34H56O4Si2
• Molecular Weight: 584.99 g/mol
• Exact Mass: 584.37
• IUPAC Name: (E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol
• SMILES: CO[C@H](/C=C(\C)CO)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C34H56O4Si2/c1-26(24-35)23-31(36-10)28(3)32(38-39(11,12)33(4,5)6)27(2)25-37-40(34(7,8)9,29-19-15-13-16-20-29)30-21-17-14-18-22-30/h13-23,27-28,31-32,35H,24-25H2,1-12H3/b26-23+/t27-,28-,31-,32-/m1/s1
• InChIKey: HTGHSRQQOMPYHR-INRFDBGXSA-N
• XLogP: 7.18
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.99
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 (E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol?

The IUPAC name of (E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol (CID 57387274) is (E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol.

What is the SMILES notation for (E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol?

The canonical SMILES for (E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol is CO[C@H](/C=C(\C)CO)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of (E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol?

The InChIKey is HTGHSRQQOMPYHR-INRFDBGXSA-N. The full InChI is InChI=1S/C34H56O4Si2/c1-26(24-35)23-31(36-10)28(3)32(38-39(11,12)33(4,5)6)27(2)25-37-40(34(7,8)9,29-19-15-13-16-20-29)30-21-17-14-18-22-30/h13-23,27-28,31-32,35H,24-25H2,1-12H3/b26-23+/t27-,28-,31-,32-/m1/s1.

What are the key properties of (E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol?

(E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol has a molecular weight of 584.99 g/mol, XLogP of 7.18, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol is sourced from PubChem (CID 57387274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).