tert-butyl 6-[[[6-[2-acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-dimethoxysilyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate

C29H46F6O8Si2 — CID 21014922

About tert-butyl 6-[[[6-[2-acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-dimethoxysilyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate

tert-butyl 6-[[[6-[2-acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-dimethoxysilyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 21014922) has the molecular formula C29H46F6O8Si2 and a molecular weight of 692.84 g/mol. Its IUPAC name is tert-butyl 6-[[[6-[2-acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-dimethoxysilyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 6-[[[6-[2-acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-dimethoxysilyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate
• PubChem CID: 21014922
• Molecular Formula: C29H46F6O8Si2
• Molecular Weight: 692.84 g/mol
• Exact Mass: 692.26
• IUPAC Name: tert-butyl 6-[[[6-[2-acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-dimethoxysilyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate
• SMILES: CO[Si](C)(O[Si](OC)(OC)C1CC2CC(CC(OC(C)=O)(C(F)(F)F)C(F)(F)F)C1C2)C1CC2CC(C(=O)OC(C)(C)C)C1C2
• InChI: InChI=1S/C29H46F6O8Si2/c1-16(36)41-27(28(30,31)32,29(33,34)35)15-19-9-17-10-20(19)24(14-17)45(39-6,40-7)43-44(8,38-5)23-13-18-11-21(23)22(12-18)25(37)42-26(2,3)4/h17-24H,9-15H2,1-8H3
• InChIKey: NXXIISGCCPOPPX-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.84
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	0
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 tert-butyl 6-[[[6-[2-acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-dimethoxysilyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate?

The IUPAC name of tert-butyl 6-[[[6-[2-acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-dimethoxysilyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate (CID 21014922) is tert-butyl 6-[[[6-[2-acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-dimethoxysilyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate.

What is the SMILES notation for tert-butyl 6-[[[6-[2-acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-dimethoxysilyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate?

The canonical SMILES for tert-butyl 6-[[[6-[2-acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-dimethoxysilyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate is CO[Si](C)(O[Si](OC)(OC)C1CC2CC(CC(OC(C)=O)(C(F)(F)F)C(F)(F)F)C1C2)C1CC2CC(C(=O)OC(C)(C)C)C1C2.

What is the InChIKey of tert-butyl 6-[[[6-[2-acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-dimethoxysilyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate?

The InChIKey is NXXIISGCCPOPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46F6O8Si2/c1-16(36)41-27(28(30,31)32,29(33,34)35)15-19-9-17-10-20(19)24(14-17)45(39-6,40-7)43-44(8,38-5)23-13-18-11-21(23)22(12-18)25(37)42-26(2,3)4/h17-24H,9-15H2,1-8H3.

What are the key properties of tert-butyl 6-[[[6-[2-acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-dimethoxysilyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate?

tert-butyl 6-[[[6-[2-acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-dimethoxysilyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 692.84 g/mol, XLogP of 6.94, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-[[[6-[2-acetyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-dimethoxysilyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 21014922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).