2-hydroxyethyl 5-[dimethoxy-[methoxy-methyl-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxysilyl]bicyclo[2.2.1]heptane-2-carboxylate

C25H40F6O8Si2 — CID 59017052

About 2-hydroxyethyl 5-[dimethoxy-[methoxy-methyl-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxysilyl]bicyclo[2.2.1]heptane-2-carboxylate

2-hydroxyethyl 5-[dimethoxy-[methoxy-methyl-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxysilyl]bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 59017052) has the molecular formula C25H40F6O8Si2 and a molecular weight of 638.75 g/mol. Its IUPAC name is 2-hydroxyethyl 5-[dimethoxy-[methoxy-methyl-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxysilyl]bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

• Compound Name: 2-hydroxyethyl 5-[dimethoxy-[methoxy-methyl-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxysilyl]bicyclo[2.2.1]heptane-2-carboxylate
• PubChem CID: 59017052
• Molecular Formula: C25H40F6O8Si2
• Molecular Weight: 638.75 g/mol
• Exact Mass: 638.22
• IUPAC Name: 2-hydroxyethyl 5-[dimethoxy-[methoxy-methyl-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxysilyl]bicyclo[2.2.1]heptane-2-carboxylate
• SMILES: CO[Si](C)(O[Si](OC)(OC)C1CC2CC1CC2C(=O)OCCO)C1CC2CC1CC2CC(O)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C25H40F6O8Si2/c1-35-40(4,20-11-14-7-16(20)9-18(14)13-23(34,24(26,27)28)25(29,30)31)39-41(36-2,37-3)21-12-15-8-17(21)10-19(15)22(33)38-6-5-32/h14-21,32,34H,5-13H2,1-4H3
• InChIKey: AEGHBYQBGGSBMI-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 103.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.75
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 5-[dimethoxy-[methoxy-methyl-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxysilyl]bicyclo[2.2.1]heptane-2-carboxylate?

The IUPAC name of 2-hydroxyethyl 5-[dimethoxy-[methoxy-methyl-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxysilyl]bicyclo[2.2.1]heptane-2-carboxylate (CID 59017052) is 2-hydroxyethyl 5-[dimethoxy-[methoxy-methyl-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxysilyl]bicyclo[2.2.1]heptane-2-carboxylate.

What is the SMILES notation for 2-hydroxyethyl 5-[dimethoxy-[methoxy-methyl-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxysilyl]bicyclo[2.2.1]heptane-2-carboxylate?

The canonical SMILES for 2-hydroxyethyl 5-[dimethoxy-[methoxy-methyl-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxysilyl]bicyclo[2.2.1]heptane-2-carboxylate is CO[Si](C)(O[Si](OC)(OC)C1CC2CC1CC2C(=O)OCCO)C1CC2CC1CC2CC(O)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2-hydroxyethyl 5-[dimethoxy-[methoxy-methyl-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxysilyl]bicyclo[2.2.1]heptane-2-carboxylate?

The InChIKey is AEGHBYQBGGSBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40F6O8Si2/c1-35-40(4,20-11-14-7-16(20)9-18(14)13-23(34,24(26,27)28)25(29,30)31)39-41(36-2,37-3)21-12-15-8-17(21)10-19(15)22(33)38-6-5-32/h14-21,32,34H,5-13H2,1-4H3.

What are the key properties of 2-hydroxyethyl 5-[dimethoxy-[methoxy-methyl-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxysilyl]bicyclo[2.2.1]heptane-2-carboxylate?

2-hydroxyethyl 5-[dimethoxy-[methoxy-methyl-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxysilyl]bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 638.75 g/mol, XLogP of 4.57, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxyethyl 5-[dimethoxy-[methoxy-methyl-[5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxysilyl]bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 59017052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).