2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-trimethylsilyloxycyclopenten-1-yl]ethyl 2,2-dimethylpropanoate

C35H70O5Si3 — CID 10985171

About 2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-trimethylsilyloxycyclopenten-1-yl]ethyl 2,2-dimethylpropanoate

2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-trimethylsilyloxycyclopenten-1-yl]ethyl 2,2-dimethylpropanoate (PubChem CID 10985171) has the molecular formula C35H70O5Si3 and a molecular weight of 655.20 g/mol. Its IUPAC name is 2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-trimethylsilyloxycyclopenten-1-yl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: 2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-trimethylsilyloxycyclopenten-1-yl]ethyl 2,2-dimethylpropanoate
• PubChem CID: 10985171
• Molecular Formula: C35H70O5Si3
• Molecular Weight: 655.20 g/mol
• Exact Mass: 654.45
• IUPAC Name: 2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-trimethylsilyloxycyclopenten-1-yl]ethyl 2,2-dimethylpropanoate
• SMILES: CCCCC[C@@H](/C=C/[C@@H]1C(CCOC(=O)C(C)(C)C)=C(O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C35H70O5Si3/c1-18-19-20-21-27(38-42(14,15)34(5,6)7)22-23-28-29(24-25-37-32(36)33(2,3)4)30(39-41(11,12)13)26-31(28)40-43(16,17)35(8,9)10/h22-23,27-28,31H,18-21,24-26H2,1-17H3/b23-22+/t27-,28+,31+/m0/s1
• InChIKey: AEODAYGSNFRLIF-MSSDDAISSA-N
• XLogP: 11.01
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.20
LogP ≤ 5	11.01
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 2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-trimethylsilyloxycyclopenten-1-yl]ethyl 2,2-dimethylpropanoate?

The IUPAC name of 2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-trimethylsilyloxycyclopenten-1-yl]ethyl 2,2-dimethylpropanoate (CID 10985171) is 2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-trimethylsilyloxycyclopenten-1-yl]ethyl 2,2-dimethylpropanoate.

What is the SMILES notation for 2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-trimethylsilyloxycyclopenten-1-yl]ethyl 2,2-dimethylpropanoate?

The canonical SMILES for 2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-trimethylsilyloxycyclopenten-1-yl]ethyl 2,2-dimethylpropanoate is CCCCC[C@@H](/C=C/[C@@H]1C(CCOC(=O)C(C)(C)C)=C(O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-trimethylsilyloxycyclopenten-1-yl]ethyl 2,2-dimethylpropanoate?

The InChIKey is AEODAYGSNFRLIF-MSSDDAISSA-N. The full InChI is InChI=1S/C35H70O5Si3/c1-18-19-20-21-27(38-42(14,15)34(5,6)7)22-23-28-29(24-25-37-32(36)33(2,3)4)30(39-41(11,12)13)26-31(28)40-43(16,17)35(8,9)10/h22-23,27-28,31H,18-21,24-26H2,1-17H3/b23-22+/t27-,28+,31+/m0/s1.

What are the key properties of 2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-trimethylsilyloxycyclopenten-1-yl]ethyl 2,2-dimethylpropanoate?

2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-trimethylsilyloxycyclopenten-1-yl]ethyl 2,2-dimethylpropanoate has a molecular weight of 655.20 g/mol, XLogP of 11.01, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-trimethylsilyloxycyclopenten-1-yl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 10985171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).