methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate

C30H44O3Si2 — CID 10885702

About methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate

methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate (PubChem CID 10885702) has the molecular formula C30H44O3Si2 and a molecular weight of 508.85 g/mol. Its IUPAC name is methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate.

Molecular Properties

• Compound Name: methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
• PubChem CID: 10885702
• Molecular Formula: C30H44O3Si2
• Molecular Weight: 508.85 g/mol
• Exact Mass: 508.28
• IUPAC Name: methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
• SMILES: COC(=O)C[C@H]1CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1/C=C/C[Si](C)(C)C
• InChI: InChI=1S/C30H44O3Si2/c1-30(2,3)35(25-15-10-8-11-16-25,26-17-12-9-13-18-26)33-28-21-20-24(23-29(31)32-4)27(28)19-14-22-34(5,6)7/h8-19,24,27-28H,20-23H2,1-7H3/b19-14+/t24-,27+,28+/m1/s1
• InChIKey: BUAYRXGUQFZVLH-GSMKNQJLSA-N
• XLogP: 6.42
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.85
LogP ≤ 5	6.42
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 methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?

The IUPAC name of methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate (CID 10885702) is methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate.

What is the SMILES notation for methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?

The canonical SMILES for methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate is COC(=O)C[C@H]1CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1/C=C/C[Si](C)(C)C.

What is the InChIKey of methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?

The InChIKey is BUAYRXGUQFZVLH-GSMKNQJLSA-N. The full InChI is InChI=1S/C30H44O3Si2/c1-30(2,3)35(25-15-10-8-11-16-25,26-17-12-9-13-18-26)33-28-21-20-24(23-29(31)32-4)27(28)19-14-22-34(5,6)7/h8-19,24,27-28H,20-23H2,1-7H3/b19-14+/t24-,27+,28+/m1/s1.

What are the key properties of methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate?

methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate has a molecular weight of 508.85 g/mol, XLogP of 6.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(1R,2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate is sourced from PubChem (CID 10885702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).