ethyl (1R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-methyl-6-(2-trimethylsilylfuran-3-yl)cyclohex-2-ene-1-carboxylate

C23H40O5Si2 — CID 10742301

About ethyl (1R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-methyl-6-(2-trimethylsilylfuran-3-yl)cyclohex-2-ene-1-carboxylate

ethyl (1R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-methyl-6-(2-trimethylsilylfuran-3-yl)cyclohex-2-ene-1-carboxylate (PubChem CID 10742301) has the molecular formula C23H40O5Si2 and a molecular weight of 452.74 g/mol. Its IUPAC name is ethyl (1R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-methyl-6-(2-trimethylsilylfuran-3-yl)cyclohex-2-ene-1-carboxylate.

Molecular Properties

• Compound Name: ethyl (1R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-methyl-6-(2-trimethylsilylfuran-3-yl)cyclohex-2-ene-1-carboxylate
• PubChem CID: 10742301
• Molecular Formula: C23H40O5Si2
• Molecular Weight: 452.74 g/mol
• Exact Mass: 452.24
• IUPAC Name: ethyl (1R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-methyl-6-(2-trimethylsilylfuran-3-yl)cyclohex-2-ene-1-carboxylate
• SMILES: CCOC(=O)[C@@H]1C=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]1(O)c1ccoc1[Si](C)(C)C
• InChI: InChI=1S/C23H40O5Si2/c1-11-26-20(24)18-14-16(2)19(28-30(9,10)22(3,4)5)15-23(18,25)17-12-13-27-21(17)29(6,7)8/h12-14,18-19,25H,11,15H2,1-10H3/t18-,19-,23+/m0/s1
• InChIKey: LRYPXYTZMOWVOS-SFYKDHMMSA-N
• XLogP: 4.93
• TPSA: 68.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.74
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 ethyl (1R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-methyl-6-(2-trimethylsilylfuran-3-yl)cyclohex-2-ene-1-carboxylate?

The IUPAC name of ethyl (1R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-methyl-6-(2-trimethylsilylfuran-3-yl)cyclohex-2-ene-1-carboxylate (CID 10742301) is ethyl (1R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-methyl-6-(2-trimethylsilylfuran-3-yl)cyclohex-2-ene-1-carboxylate.

What is the SMILES notation for ethyl (1R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-methyl-6-(2-trimethylsilylfuran-3-yl)cyclohex-2-ene-1-carboxylate?

The canonical SMILES for ethyl (1R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-methyl-6-(2-trimethylsilylfuran-3-yl)cyclohex-2-ene-1-carboxylate is CCOC(=O)[C@@H]1C=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]1(O)c1ccoc1[Si](C)(C)C.

What is the InChIKey of ethyl (1R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-methyl-6-(2-trimethylsilylfuran-3-yl)cyclohex-2-ene-1-carboxylate?

The InChIKey is LRYPXYTZMOWVOS-SFYKDHMMSA-N. The full InChI is InChI=1S/C23H40O5Si2/c1-11-26-20(24)18-14-16(2)19(28-30(9,10)22(3,4)5)15-23(18,25)17-12-13-27-21(17)29(6,7)8/h12-14,18-19,25H,11,15H2,1-10H3/t18-,19-,23+/m0/s1.

What are the key properties of ethyl (1R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-methyl-6-(2-trimethylsilylfuran-3-yl)cyclohex-2-ene-1-carboxylate?

ethyl (1R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-methyl-6-(2-trimethylsilylfuran-3-yl)cyclohex-2-ene-1-carboxylate has a molecular weight of 452.74 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (1R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3-methyl-6-(2-trimethylsilylfuran-3-yl)cyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 10742301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).