tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]-2-methylbicyclo[2.2.1]heptane-2-carboxylate

C25H46F6O10Si3 — CID 59734876

About tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]-2-methylbicyclo[2.2.1]heptane-2-carboxylate

tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]-2-methylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 59734876) has the molecular formula C25H46F6O10Si3 and a molecular weight of 704.88 g/mol. Its IUPAC name is tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]-2-methylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]-2-methylbicyclo[2.2.1]heptane-2-carboxylate
• PubChem CID: 59734876
• Molecular Formula: C25H46F6O10Si3
• Molecular Weight: 704.88 g/mol
• Exact Mass: 704.23
• IUPAC Name: tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]-2-methylbicyclo[2.2.1]heptane-2-carboxylate
• SMILES: CO[Si](CCCC(O)(C(F)(F)F)C(F)(F)F)(O[Si](OC)(OC)OC)O[Si](C)(OC)C1CC2CC1C(C)(C(=O)OC(C)(C)C)C2
• InChI: InChI=1S/C25H46F6O10Si3/c1-21(2,3)39-20(32)22(4)16-17-14-18(22)19(15-17)42(10,34-5)40-43(35-6,41-44(36-7,37-8)38-9)13-11-12-23(33,24(26,27)28)25(29,30)31/h17-19,33H,11-16H2,1-10H3
• InChIKey: SLCCLQLVUZAECX-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 111.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.88
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]-2-methylbicyclo[2.2.1]heptane-2-carboxylate?

The IUPAC name of tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]-2-methylbicyclo[2.2.1]heptane-2-carboxylate (CID 59734876) is tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]-2-methylbicyclo[2.2.1]heptane-2-carboxylate.

What is the SMILES notation for tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]-2-methylbicyclo[2.2.1]heptane-2-carboxylate?

The canonical SMILES for tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]-2-methylbicyclo[2.2.1]heptane-2-carboxylate is CO[Si](CCCC(O)(C(F)(F)F)C(F)(F)F)(O[Si](OC)(OC)OC)O[Si](C)(OC)C1CC2CC1C(C)(C(=O)OC(C)(C)C)C2.

What is the InChIKey of tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]-2-methylbicyclo[2.2.1]heptane-2-carboxylate?

The InChIKey is SLCCLQLVUZAECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46F6O10Si3/c1-21(2,3)39-20(32)22(4)16-17-14-18(22)19(15-17)42(10,34-5)40-43(35-6,41-44(36-7,37-8)38-9)13-11-12-23(33,24(26,27)28)25(29,30)31/h17-19,33H,11-16H2,1-10H3.

What are the key properties of tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]-2-methylbicyclo[2.2.1]heptane-2-carboxylate?

tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]-2-methylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 704.88 g/mol, XLogP of 5.48, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-[methoxy-[methoxy-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentyl]-trimethoxysilyloxysilyl]oxy-methylsilyl]-2-methylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 59734876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).