3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol

C116H168O25 — CID 159147037

About 3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol

3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol (PubChem CID 159147037) has the molecular formula C116H168O25 and a molecular weight of 1962.59 g/mol. Its IUPAC name is 3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol.

Molecular Properties

• Compound Name: 3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol
• PubChem CID: 159147037
• Molecular Formula: C116H168O25
• Molecular Weight: 1962.59 g/mol
• Exact Mass: 1961.19
• IUPAC Name: 3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol
• SMILES: CC1C(C)C2CC1C(C(=O)O)C2C(=O)OC12CC3CC(CC(C3)C1)C2.CC1C(C)C2CC1C(C(=O)O)C2C(=O)OC1C2CC3CC(C2)CC1C3.CC1C(C)C2CC1C(C(=O)O)C2C(=O)OC1CC2CCC1(C)C2(C)C.CC1C(C)C2CC1C(C(=O)OC1COC(=O)C1)C2C(=O)OC1C2CC3CC(C2)CC1C3.CCOC(=O)C1C2CC(C(C)C2C)C1C(=O)OC1CCOC1=O.OCC1CC2C3CCC(C3)C2C1
• InChI: InChI=1S/C25H34O6.2C21H30O4.C21H32O4.C17H24O6.C11H18O/c1-11-12(2)19-9-18(11)21(24(27)30-17-8-20(26)29-10-17)22(19)25(28)31-23-15-4-13-3-14(6-15)7-16(23)5-13;1-10-11(2)16-6-15(10)17(19(22)23)18(16)20(24)25-21-7-12-3-13(8-21)5-14(4-12)9-21;1-9-10(2)16-8-15(9)17(20(22)23)18(16)21(24)25-19-13-4-11-3-12(6-13)7-14(19)5-11;1-10-11(2)14-9-13(10)16(18(22)23)17(14)19(24)25-15-8-12-6-7-21(15,5)20(12,3)4;1-4-21-16(19)13-10-7-11(9(3)8(10)2)14(13)17(20)23-12-5-6-22-15(12)18;12-6-7-3-10-8-1-2-9(5-8)11(10)4-7/h11-19,21-23H,3-10H2,1-2H3;10-18H,3-9H2,1-2H3,(H,22,23);9-19H,3-8H2,1-2H3,(H,22,23);10-17H,6-9H2,1-5H3,(H,22,23);8-14H,4-7H2,1-3H3;7-12H,1-6H2
• InChIKey: KIUUBFBDGHDZNY-UHFFFAOYSA-N
• XLogP: 18.29
• TPSA: 368.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1962.59
LogP ≤ 5	18.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol?

The IUPAC name of 3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol (CID 159147037) is 3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol.

What is the SMILES notation for 3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol?

The canonical SMILES for 3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol is CC1C(C)C2CC1C(C(=O)O)C2C(=O)OC12CC3CC(CC(C3)C1)C2.CC1C(C)C2CC1C(C(=O)O)C2C(=O)OC1C2CC3CC(C2)CC1C3.CC1C(C)C2CC1C(C(=O)O)C2C(=O)OC1CC2CCC1(C)C2(C)C.CC1C(C)C2CC1C(C(=O)OC1COC(=O)C1)C2C(=O)OC1C2CC3CC(C2)CC1C3.CCOC(=O)C1C2CC(C(C)C2C)C1C(=O)OC1CCOC1=O.OCC1CC2C3CCC(C3)C2C1.

What is the InChIKey of 3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol?

The InChIKey is KIUUBFBDGHDZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O6.2C21H30O4.C21H32O4.C17H24O6.C11H18O/c1-11-12(2)19-9-18(11)21(24(27)30-17-8-20(26)29-10-17)22(19)25(28)31-23-15-4-13-3-14(6-15)7-16(23)5-13;1-10-11(2)16-6-15(10)17(19(22)23)18(16)20(24)25-21-7-12-3-13(8-21)5-14(4-12)9-21;1-9-10(2)16-8-15(9)17(20(22)23)18(16)21(24)25-19-13-4-11-3-12(6-13)7-14(19)5-11;1-10-11(2)14-9-13(10)16(18(22)23)17(14)19(24)25-15-8-12-6-7-21(15,5)20(12,3)4;1-4-21-16(19)13-10-7-11(9(3)8(10)2)14(13)17(20)23-12-5-6-22-15(12)18;12-6-7-3-10-8-1-2-9(5-8)11(10)4-7/h11-19,21-23H,3-10H2,1-2H3;10-18H,3-9H2,1-2H3,(H,22,23);9-19H,3-8H2,1-2H3,(H,22,23);10-17H,6-9H2,1-5H3,(H,22,23);8-14H,4-7H2,1-3H3;7-12H,1-6H2.

What are the key properties of 3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol?

3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol has a molecular weight of 1962.59 g/mol, XLogP of 18.29, 18 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-O-(2-adamantyl) 2-O-(5-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;3-(1-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-adamantyloxycarbonyl)-5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;5,6-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxycarbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid;2-O-ethyl 3-O-(2-oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxylate;4-tricyclo[5.2.1.02,6]decanylmethanol is sourced from PubChem (CID 159147037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).