(2-oxooxolan-3-yl) 2-[[3-[2-[[10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-methylpropyl]-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl]methyl]-1,1,1-trifluoro-3-oxo-3-(2-oxooxolan-3-yl)oxypropan-2-yl]oxan-2-yl]methyl]-3,3,3-trifluoro-2-methylpropanoate

C41H55F9O12 — CID 23399678

About (2-oxooxolan-3-yl) 2-[[3-[2-[[10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-methylpropyl]-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl]methyl]-1,1,1-trifluoro-3-oxo-3-(2-oxooxolan-3-yl)oxypropan-2-yl]oxan-2-yl]methyl]-3,3,3-trifluoro-2-methylpropanoate

(2-oxooxolan-3-yl) 2-[[3-[2-[[10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-methylpropyl]-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl]methyl]-1,1,1-trifluoro-3-oxo-3-(2-oxooxolan-3-yl)oxypropan-2-yl]oxan-2-yl]methyl]-3,3,3-trifluoro-2-methylpropanoate (PubChem CID 23399678) has the molecular formula C41H55F9O12 and a molecular weight of 910.86 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-[[3-[2-[[10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-methylpropyl]-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl]methyl]-1,1,1-trifluoro-3-oxo-3-(2-oxooxolan-3-yl)oxypropan-2-yl]oxan-2-yl]methyl]-3,3,3-trifluoro-2-methylpropanoate.

Molecular Properties

• Compound Name: (2-oxooxolan-3-yl) 2-[[3-[2-[[10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-methylpropyl]-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl]methyl]-1,1,1-trifluoro-3-oxo-3-(2-oxooxolan-3-yl)oxypropan-2-yl]oxan-2-yl]methyl]-3,3,3-trifluoro-2-methylpropanoate
• PubChem CID: 23399678
• Molecular Formula: C41H55F9O12
• Molecular Weight: 910.86 g/mol
• Exact Mass: 910.35
• IUPAC Name: (2-oxooxolan-3-yl) 2-[[3-[2-[[10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-methylpropyl]-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl]methyl]-1,1,1-trifluoro-3-oxo-3-(2-oxooxolan-3-yl)oxypropan-2-yl]oxan-2-yl]methyl]-3,3,3-trifluoro-2-methylpropanoate
• SMILES: CCOC(C)OC(C)(CC1CC2CC1C1OC(CC(C(=O)OC3CCOC3=O)(C3CCCOC3CC(C)(C(=O)OC3CCOC3=O)C(F)(F)F)C(F)(F)F)C(C)CC21)C(F)(F)F
• InChI: InChI=1S/C41H55F9O12/c1-6-55-21(3)62-37(5,40(45,46)47)17-23-15-22-16-25(23)31-24(22)14-20(2)29(59-31)19-38(41(48,49)50,35(54)61-28-10-13-58-33(28)52)26-8-7-11-56-30(26)18-36(4,39(42,43)44)34(53)60-27-9-12-57-32(27)51/h20-31H,6-19H2,1-5H3
• InChIKey: CNHSHZYTFYILFP-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 142.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	910.86
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-[[3-[2-[[10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-methylpropyl]-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl]methyl]-1,1,1-trifluoro-3-oxo-3-(2-oxooxolan-3-yl)oxypropan-2-yl]oxan-2-yl]methyl]-3,3,3-trifluoro-2-methylpropanoate?

The IUPAC name of (2-oxooxolan-3-yl) 2-[[3-[2-[[10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-methylpropyl]-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl]methyl]-1,1,1-trifluoro-3-oxo-3-(2-oxooxolan-3-yl)oxypropan-2-yl]oxan-2-yl]methyl]-3,3,3-trifluoro-2-methylpropanoate (CID 23399678) is (2-oxooxolan-3-yl) 2-[[3-[2-[[10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-methylpropyl]-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl]methyl]-1,1,1-trifluoro-3-oxo-3-(2-oxooxolan-3-yl)oxypropan-2-yl]oxan-2-yl]methyl]-3,3,3-trifluoro-2-methylpropanoate.

What is the SMILES notation for (2-oxooxolan-3-yl) 2-[[3-[2-[[10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-methylpropyl]-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl]methyl]-1,1,1-trifluoro-3-oxo-3-(2-oxooxolan-3-yl)oxypropan-2-yl]oxan-2-yl]methyl]-3,3,3-trifluoro-2-methylpropanoate?

The canonical SMILES for (2-oxooxolan-3-yl) 2-[[3-[2-[[10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-methylpropyl]-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl]methyl]-1,1,1-trifluoro-3-oxo-3-(2-oxooxolan-3-yl)oxypropan-2-yl]oxan-2-yl]methyl]-3,3,3-trifluoro-2-methylpropanoate is CCOC(C)OC(C)(CC1CC2CC1C1OC(CC(C(=O)OC3CCOC3=O)(C3CCCOC3CC(C)(C(=O)OC3CCOC3=O)C(F)(F)F)C(F)(F)F)C(C)CC21)C(F)(F)F.

What is the InChIKey of (2-oxooxolan-3-yl) 2-[[3-[2-[[10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-methylpropyl]-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl]methyl]-1,1,1-trifluoro-3-oxo-3-(2-oxooxolan-3-yl)oxypropan-2-yl]oxan-2-yl]methyl]-3,3,3-trifluoro-2-methylpropanoate?

The InChIKey is CNHSHZYTFYILFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H55F9O12/c1-6-55-21(3)62-37(5,40(45,46)47)17-23-15-22-16-25(23)31-24(22)14-20(2)29(59-31)19-38(41(48,49)50,35(54)61-28-10-13-58-33(28)52)26-8-7-11-56-30(26)18-36(4,39(42,43)44)34(53)60-27-9-12-57-32(27)51/h20-31H,6-19H2,1-5H3.

What are the key properties of (2-oxooxolan-3-yl) 2-[[3-[2-[[10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-methylpropyl]-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl]methyl]-1,1,1-trifluoro-3-oxo-3-(2-oxooxolan-3-yl)oxypropan-2-yl]oxan-2-yl]methyl]-3,3,3-trifluoro-2-methylpropanoate?

(2-oxooxolan-3-yl) 2-[[3-[2-[[10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-methylpropyl]-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl]methyl]-1,1,1-trifluoro-3-oxo-3-(2-oxooxolan-3-yl)oxypropan-2-yl]oxan-2-yl]methyl]-3,3,3-trifluoro-2-methylpropanoate has a molecular weight of 910.86 g/mol, XLogP of 7.57, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2-oxooxolan-3-yl) 2-[[3-[2-[[10-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-methylpropyl]-5-methyl-3-oxatricyclo[6.2.1.02,7]undecan-4-yl]methyl]-1,1,1-trifluoro-3-oxo-3-(2-oxooxolan-3-yl)oxypropan-2-yl]oxan-2-yl]methyl]-3,3,3-trifluoro-2-methylpropanoate is sourced from PubChem (CID 23399678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).