tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane

C30H54O4Si3 — CID 10951884

About tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane (PubChem CID 10951884) has the molecular formula C30H54O4Si3 and a molecular weight of 563.02 g/mol. Its IUPAC name is tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane
• PubChem CID: 10951884
• Molecular Formula: C30H54O4Si3
• Molecular Weight: 563.02 g/mol
• Exact Mass: 562.33
• IUPAC Name: tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)O[C@H](/C=C/[C@@H]1C=C(O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)COc1ccccc1
• InChI: InChI=1S/C30H54O4Si3/c1-29(2,3)36(10,11)33-26(23-31-25-17-15-14-16-18-25)20-19-24-21-27(32-35(7,8)9)22-28(24)34-37(12,13)30(4,5)6/h14-21,24,26,28H,22-23H2,1-13H3/b20-19+/t24-,26-,28-/m1/s1
• InChIKey: AUCSTXZRFNCKBN-CMZXACCISA-N
• XLogP: 9.16
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.02
LogP ≤ 5	9.16
H-Bond Donors ≤ 5	0
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 tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane (CID 10951884) is tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H](/C=C/[C@@H]1C=C(O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)COc1ccccc1.

What is the InChIKey of tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane?

The InChIKey is AUCSTXZRFNCKBN-CMZXACCISA-N. The full InChI is InChI=1S/C30H54O4Si3/c1-29(2,3)36(10,11)33-26(23-31-25-17-15-14-16-18-25)20-19-24-21-27(32-35(7,8)9)22-28(24)34-37(12,13)30(4,5)6/h14-21,24,26,28H,22-23H2,1-13H3/b20-19+/t24-,26-,28-/m1/s1.

What are the key properties of tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane?

tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 563.02 g/mol, XLogP of 9.16, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1R,2R)-2-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenoxybut-1-enyl]-4-trimethylsilyloxycyclopent-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 10951884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).