methane;6-[4-(5-methoxycarbonyl-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;6-[4-(3-methoxy-2,2-dimethyl-3-oxopropyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;methyl 5-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 3-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate

C120H224F12O26 — CID 161240200

About methane;6-[4-(5-methoxycarbonyl-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;6-[4-(3-methoxy-2,2-dimethyl-3-oxopropyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;methyl 5-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 3-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate

methane;6-[4-(5-methoxycarbonyl-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;6-[4-(3-methoxy-2,2-dimethyl-3-oxopropyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;methyl 5-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 3-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate (PubChem CID 161240200) has the molecular formula C120H224F12O26 and a molecular weight of 2311.06 g/mol. Its IUPAC name is methane;6-[4-(5-methoxycarbonyl-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;6-[4-(3-methoxy-2,2-dimethyl-3-oxopropyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;methyl 5-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 3-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: methane;6-[4-(5-methoxycarbonyl-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;6-[4-(3-methoxy-2,2-dimethyl-3-oxopropyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;methyl 5-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 3-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
• PubChem CID: 161240200
• Molecular Formula: C120H224F12O26
• Molecular Weight: 2311.06 g/mol
• Exact Mass: 2309.60
• IUPAC Name: methane;6-[4-(5-methoxycarbonyl-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;6-[4-(3-methoxy-2,2-dimethyl-3-oxopropyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;methyl 5-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 3-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.COC(=O)C(C)(C)CC1C(=O)OC(=O)C1C1(C)C(C)C2CC(C(=O)O)C1C2.COC(=O)C(C)(C)CC1C(=O)OC(=O)C1C1(C)C(C)C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C2.COC(=O)C1CC2CC1C(C)(C)C2C1C(=O)OC(=O)C1C1(C)C(C)C2CC(C(=O)O)C1C2.COC(=O)C1CC2CC1C(C)(C)C2C1C(=O)OC(=O)C1C1(C)C(C)C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C2
• InChI: InChI=1S/C28H36F6O6.C25H34O7.C23H30F6O6.C20H28O7.24CH4/c1-11-12-6-14(10-26(38,27(29,30)31)28(32,33)34)16(8-12)25(11,4)20-18(22(36)40-23(20)37)19-13-7-15(21(35)39-5)17(9-13)24(19,2)3;1-10-11-6-13(20(26)27)16(8-11)25(10,4)19-17(22(29)32-23(19)30)18-12-7-14(21(28)31-5)15(9-12)24(18,2)3;1-10-11-6-12(8-21(33,22(24,25)26)23(27,28)29)14(7-11)20(10,4)15-13(16(30)35-17(15)31)9-19(2,3)18(32)34-5;1-9-10-6-11(15(21)22)13(7-10)20(9,4)14-12(16(23)27-17(14)24)8-19(2,3)18(25)26-5;;;;;;;;;;;;;;;;;;;;;;;;/h11-20,38H,6-10H2,1-5H3;10-19H,6-9H2,1-5H3,(H,26,27);10-15,33H,6-9H2,1-5H3;9-14H,6-8H2,1-5H3,(H,21,22);24*1H4
• InChIKey: UZWYJTNKCYJUTL-UHFFFAOYSA-N
• XLogP: 30.45
• TPSA: 393.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2311.06
LogP ≤ 5	30.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;6-[4-(5-methoxycarbonyl-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;6-[4-(3-methoxy-2,2-dimethyl-3-oxopropyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;methyl 5-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 3-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

The IUPAC name of methane;6-[4-(5-methoxycarbonyl-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;6-[4-(3-methoxy-2,2-dimethyl-3-oxopropyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;methyl 5-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 3-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate (CID 161240200) is methane;6-[4-(5-methoxycarbonyl-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;6-[4-(3-methoxy-2,2-dimethyl-3-oxopropyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;methyl 5-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 3-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate.

What is the SMILES notation for methane;6-[4-(5-methoxycarbonyl-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;6-[4-(3-methoxy-2,2-dimethyl-3-oxopropyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;methyl 5-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 3-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

The canonical SMILES for methane;6-[4-(5-methoxycarbonyl-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;6-[4-(3-methoxy-2,2-dimethyl-3-oxopropyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;methyl 5-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 3-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.COC(=O)C(C)(C)CC1C(=O)OC(=O)C1C1(C)C(C)C2CC(C(=O)O)C1C2.COC(=O)C(C)(C)CC1C(=O)OC(=O)C1C1(C)C(C)C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C2.COC(=O)C1CC2CC1C(C)(C)C2C1C(=O)OC(=O)C1C1(C)C(C)C2CC(C(=O)O)C1C2.COC(=O)C1CC2CC1C(C)(C)C2C1C(=O)OC(=O)C1C1(C)C(C)C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C2.

What is the InChIKey of methane;6-[4-(5-methoxycarbonyl-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;6-[4-(3-methoxy-2,2-dimethyl-3-oxopropyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;methyl 5-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 3-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

The InChIKey is UZWYJTNKCYJUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F6O6.C25H34O7.C23H30F6O6.C20H28O7.24CH4/c1-11-12-6-14(10-26(38,27(29,30)31)28(32,33)34)16(8-12)25(11,4)20-18(22(36)40-23(20)37)19-13-7-15(21(35)39-5)17(9-13)24(19,2)3;1-10-11-6-13(20(26)27)16(8-11)25(10,4)19-17(22(29)32-23(19)30)18-12-7-14(21(28)31-5)15(9-12)24(18,2)3;1-10-11-6-12(8-21(33,22(24,25)26)23(27,28)29)14(7-11)20(10,4)15-13(16(30)35-17(15)31)9-19(2,3)18(32)34-5;1-9-10-6-11(15(21)22)13(7-10)20(9,4)14-12(16(23)27-17(14)24)8-19(2,3)18(25)26-5;;;;;;;;;;;;;;;;;;;;;;;;/h11-20,38H,6-10H2,1-5H3;10-19H,6-9H2,1-5H3,(H,26,27);10-15,33H,6-9H2,1-5H3;9-14H,6-8H2,1-5H3,(H,21,22);24*1H4.

What are the key properties of methane;6-[4-(5-methoxycarbonyl-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;6-[4-(3-methoxy-2,2-dimethyl-3-oxopropyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;methyl 5-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 3-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate?

methane;6-[4-(5-methoxycarbonyl-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;6-[4-(3-methoxy-2,2-dimethyl-3-oxopropyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;methyl 5-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 3-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate has a molecular weight of 2311.06 g/mol, XLogP of 30.45, 20 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for methane;6-[4-(5-methoxycarbonyl-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;6-[4-(3-methoxy-2,2-dimethyl-3-oxopropyl)-2,5-dioxooxolan-3-yl]-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;methyl 5-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;methyl 3-[4-[2,3-dimethyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 161240200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).