tris(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-(trifluoromethyl)butanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methyl-2-(trifluoromethyl)butanoate

C80H105F27O20 — CID 91107577

About tris(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-(trifluoromethyl)butanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methyl-2-(trifluoromethyl)butanoate

tris(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-(trifluoromethyl)butanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methyl-2-(trifluoromethyl)butanoate (PubChem CID 91107577) has the molecular formula C80H105F27O20 and a molecular weight of 1899.65 g/mol. Its IUPAC name is tris(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-(trifluoromethyl)butanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methyl-2-(trifluoromethyl)butanoate.

Molecular Properties

• Compound Name: tris(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-(trifluoromethyl)butanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methyl-2-(trifluoromethyl)butanoate
• PubChem CID: 91107577
• Molecular Formula: C80H105F27O20
• Molecular Weight: 1899.65 g/mol
• Exact Mass: 1898.68
• IUPAC Name: tris(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-(trifluoromethyl)butanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methyl-2-(trifluoromethyl)butanoate
• SMILES: CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C(=O)OC1C(=O)OC2C3OC(C)(C)OC3OC12)C(F)(F)F.CCC(C)(C(=O)OC1C2CC3C(=O)OC1C3C2)C(F)(F)F.CCC(C)(C(=O)OCC(=O)OC1CCOC1=O)C(F)(F)F
• InChI: InChI=1S/C15H19F3O7.C14H17F3O4.3C13H18F6O.C12H15F3O6/c1-5-14(4,15(16,17)18)12(20)23-8-6-7(21-10(8)19)9-11(22-6)25-13(2,3)24-9;1-3-13(2,14(15,16)17)12(19)21-9-6-4-7-8(5-6)11(18)20-10(7)9;3*1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;1-3-11(2,12(13,14)15)10(18)20-6-8(16)21-7-4-5-19-9(7)17/h6-9,11H,5H2,1-4H3;6-10H,3-5H2,1-2H3;3*6-10,20H,3-5H2,1-2H3;7H,3-6H2,1-2H3
• InChIKey: GQFURVKQRJUCLS-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 272.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1899.65
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-(trifluoromethyl)butanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methyl-2-(trifluoromethyl)butanoate?

The IUPAC name of tris(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-(trifluoromethyl)butanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methyl-2-(trifluoromethyl)butanoate (CID 91107577) is tris(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-(trifluoromethyl)butanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methyl-2-(trifluoromethyl)butanoate.

What is the SMILES notation for tris(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-(trifluoromethyl)butanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methyl-2-(trifluoromethyl)butanoate?

The canonical SMILES for tris(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-(trifluoromethyl)butanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methyl-2-(trifluoromethyl)butanoate is CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C(=O)OC1C(=O)OC2C3OC(C)(C)OC3OC12)C(F)(F)F.CCC(C)(C(=O)OC1C2CC3C(=O)OC1C3C2)C(F)(F)F.CCC(C)(C(=O)OCC(=O)OC1CCOC1=O)C(F)(F)F.

What is the InChIKey of tris(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-(trifluoromethyl)butanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methyl-2-(trifluoromethyl)butanoate?

The InChIKey is GQFURVKQRJUCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O7.C14H17F3O4.3C13H18F6O.C12H15F3O6/c1-5-14(4,15(16,17)18)12(20)23-8-6-7(21-10(8)19)9-11(22-6)25-13(2,3)24-9;1-3-13(2,14(15,16)17)12(19)21-9-6-4-7-8(5-6)11(18)20-10(7)9;3*1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;1-3-11(2,12(13,14)15)10(18)20-6-8(16)21-7-4-5-19-9(7)17/h6-9,11H,5H2,1-4H3;6-10H,3-5H2,1-2H3;3*6-10,20H,3-5H2,1-2H3;7H,3-6H2,1-2H3.

What are the key properties of tris(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-(trifluoromethyl)butanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methyl-2-(trifluoromethyl)butanoate?

tris(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-(trifluoromethyl)butanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methyl-2-(trifluoromethyl)butanoate has a molecular weight of 1899.65 g/mol, XLogP of 17.98, 17 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-(trifluoromethyl)butanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2-methyl-2-(trifluoromethyl)butanoate is sourced from PubChem (CID 91107577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).