[(E,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane

C29H62O3Si3 — CID 10697775

About [(E,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane

[(E,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane (PubChem CID 10697775) has the molecular formula C29H62O3Si3 and a molecular weight of 543.07 g/mol. Its IUPAC name is [(E,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(E,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane
• PubChem CID: 10697775
• Molecular Formula: C29H62O3Si3
• Molecular Weight: 543.07 g/mol
• Exact Mass: 542.40
• IUPAC Name: [(E,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
• InChI: InChI=1S/C29H62O3Si3/c1-27(2,3)33(10,11)30-23-19-22-25(31-34(12,13)28(4,5)6)26(24-20-17-16-18-21-24)32-35(14,15)29(7,8)9/h19,22,24-26H,16-18,20-21,23H2,1-15H3/b22-19+/t25-,26+/m0/s1
• InChIKey: XSVXFPYIUQYWQZ-KJUDGROPSA-N
• XLogP: 9.93
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.07
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane?

The IUPAC name of [(E,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane (CID 10697775) is [(E,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane.

What is the SMILES notation for [(E,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane?

The canonical SMILES for [(E,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.

What is the InChIKey of [(E,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane?

The InChIKey is XSVXFPYIUQYWQZ-KJUDGROPSA-N. The full InChI is InChI=1S/C29H62O3Si3/c1-27(2,3)33(10,11)30-23-19-22-25(31-34(12,13)28(4,5)6)26(24-20-17-16-18-21-24)32-35(14,15)29(7,8)9/h19,22,24-26H,16-18,20-21,23H2,1-15H3/b22-19+/t25-,26+/m0/s1.

What are the key properties of [(E,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane?

[(E,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 543.07 g/mol, XLogP of 9.93, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(E,1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclohexylpent-3-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10697775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).