[1-adamantyl-[(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxy]methyl] 2-methylprop-2-enoate;[1-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(5,5-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxymethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;[1-[(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-2,2-dimethylbutyl] 2-methylprop-2-enoate;(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate

C151H226O22 — CID 161389331

About [1-adamantyl-[(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxy]methyl] 2-methylprop-2-enoate;[1-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(5,5-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxymethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;[1-[(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-2,2-dimethylbutyl] 2-methylprop-2-enoate;(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate

[1-adamantyl-[(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxy]methyl] 2-methylprop-2-enoate;[1-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(5,5-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxymethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;[1-[(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-2,2-dimethylbutyl] 2-methylprop-2-enoate;(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 161389331) has the molecular formula C151H226O22 and a molecular weight of 2393.45 g/mol. Its IUPAC name is [1-adamantyl-[(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxy]methyl] 2-methylprop-2-enoate;[1-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(5,5-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxymethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;[1-[(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-2,2-dimethylbutyl] 2-methylprop-2-enoate;(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

• Compound Name: [1-adamantyl-[(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxy]methyl] 2-methylprop-2-enoate;[1-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(5,5-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxymethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;[1-[(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-2,2-dimethylbutyl] 2-methylprop-2-enoate;(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
• PubChem CID: 161389331
• Molecular Formula: C151H226O22
• Molecular Weight: 2393.45 g/mol
• Exact Mass: 2391.66
• IUPAC Name: [1-adamantyl-[(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxy]methyl] 2-methylprop-2-enoate;[1-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(5,5-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxymethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;[1-[(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-2,2-dimethylbutyl] 2-methylprop-2-enoate;(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
• SMILES: C=C(C)C(=O)OC(OC1C2CC(C3CCCC32)C1(C)C)C(C)(C)CC.C=C(C)C(=O)OC(OC1C2CCC(C2)C1(C)C)C(C)(C)C.C=C(C)C(=O)OC(OC1C2CCC(CC2)C1(C)C)C12CC3CC(CC(C3)C1)C2.CC1(C(=O)OCOC2C3CC(C4CCCC43)C2(C)C)CC2C=CC1C2.CC1(C)C2CC(C3C4CCC(C4)C32)C1OCOC(=O)C1CC2C=CC1O2.CC1(C)C2CCC(C2)C1OCOC(=O)C1CC2C=CC1C2.CC1(C)C2CCC(CC2)C1OCOC(=O)C1CC2CC1C1C3C=CC(C3)C21
• InChI: InChI=1S/C25H38O3.C24H34O3.C22H30O4.C22H32O3.C22H36O3.C18H26O3.C18H30O3/c1-15(2)22(26)28-23(25-12-16-9-17(13-25)11-18(10-16)14-25)27-21-19-5-7-20(8-6-19)24(21,3)4;1-24(2)17-7-5-13(6-8-17)22(24)26-12-27-23(25)19-11-16-10-18(19)21-15-4-3-14(9-15)20(16)21;1-22(2)16-9-15(18-11-3-4-12(7-11)19(16)18)20(22)24-10-25-21(23)14-8-13-5-6-17(14)26-13;1-21(2)18-10-17(15-5-4-6-16(15)18)19(21)24-12-25-20(23)22(3)11-13-7-8-14(22)9-13;1-8-21(4,5)20(25-19(23)13(2)3)24-18-16-12-17(22(18,6)7)15-11-9-10-14(15)16;1-18(2)14-6-5-13(9-14)16(18)20-10-21-17(19)15-8-11-3-4-12(15)7-11;1-11(2)15(19)21-16(17(3,4)5)20-14-12-8-9-13(10-12)18(14,6)7/h16-21,23H,1,5-14H2,2-4H3;3-4,13-22H,5-12H2,1-2H3;5-6,11-20H,3-4,7-10H2,1-2H3;7-8,13-19H,4-6,9-12H2,1-3H3;14-18,20H,2,8-12H2,1,3-7H3;3-4,11-16H,5-10H2,1-2H3;12-14,16H,1,8-10H2,2-7H3
• InChIKey: VSTSYJBVSWULGI-UHFFFAOYSA-N
• XLogP: 32.02
• TPSA: 257.94 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 31
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2393.45
LogP ≤ 5	32.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-adamantyl-[(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxy]methyl] 2-methylprop-2-enoate;[1-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(5,5-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxymethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;[1-[(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-2,2-dimethylbutyl] 2-methylprop-2-enoate;(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?

The IUPAC name of [1-adamantyl-[(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxy]methyl] 2-methylprop-2-enoate;[1-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(5,5-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxymethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;[1-[(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-2,2-dimethylbutyl] 2-methylprop-2-enoate;(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 161389331) is [1-adamantyl-[(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxy]methyl] 2-methylprop-2-enoate;[1-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(5,5-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxymethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;[1-[(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-2,2-dimethylbutyl] 2-methylprop-2-enoate;(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate.

What is the SMILES notation for [1-adamantyl-[(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxy]methyl] 2-methylprop-2-enoate;[1-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(5,5-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxymethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;[1-[(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-2,2-dimethylbutyl] 2-methylprop-2-enoate;(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?

The canonical SMILES for [1-adamantyl-[(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxy]methyl] 2-methylprop-2-enoate;[1-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(5,5-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxymethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;[1-[(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-2,2-dimethylbutyl] 2-methylprop-2-enoate;(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate is C=C(C)C(=O)OC(OC1C2CC(C3CCCC32)C1(C)C)C(C)(C)CC.C=C(C)C(=O)OC(OC1C2CCC(C2)C1(C)C)C(C)(C)C.C=C(C)C(=O)OC(OC1C2CCC(CC2)C1(C)C)C12CC3CC(CC(C3)C1)C2.CC1(C(=O)OCOC2C3CC(C4CCCC43)C2(C)C)CC2C=CC1C2.CC1(C)C2CC(C3C4CCC(C4)C32)C1OCOC(=O)C1CC2C=CC1O2.CC1(C)C2CCC(C2)C1OCOC(=O)C1CC2C=CC1C2.CC1(C)C2CCC(CC2)C1OCOC(=O)C1CC2CC1C1C3C=CC(C3)C21.

What is the InChIKey of [1-adamantyl-[(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxy]methyl] 2-methylprop-2-enoate;[1-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(5,5-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxymethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;[1-[(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-2,2-dimethylbutyl] 2-methylprop-2-enoate;(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?

The InChIKey is VSTSYJBVSWULGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O3.C24H34O3.C22H30O4.C22H32O3.C22H36O3.C18H26O3.C18H30O3/c1-15(2)22(26)28-23(25-12-16-9-17(13-25)11-18(10-16)14-25)27-21-19-5-7-20(8-6-19)24(21,3)4;1-24(2)17-7-5-13(6-8-17)22(24)26-12-27-23(25)19-11-16-10-18(19)21-15-4-3-14(9-15)20(16)21;1-22(2)16-9-15(18-11-3-4-12(7-11)19(16)18)20(22)24-10-25-21(23)14-8-13-5-6-17(14)26-13;1-21(2)18-10-17(15-5-4-6-16(15)18)19(21)24-12-25-20(23)22(3)11-13-7-8-14(22)9-13;1-8-21(4,5)20(25-19(23)13(2)3)24-18-16-12-17(22(18,6)7)15-11-9-10-14(15)16;1-18(2)14-6-5-13(9-14)16(18)20-10-21-17(19)15-8-11-3-4-12(15)7-11;1-11(2)15(19)21-16(17(3,4)5)20-14-12-8-9-13(10-12)18(14,6)7/h16-21,23H,1,5-14H2,2-4H3;3-4,13-22H,5-12H2,1-2H3;5-6,11-20H,3-4,7-10H2,1-2H3;7-8,13-19H,4-6,9-12H2,1-3H3;14-18,20H,2,8-12H2,1,3-7H3;3-4,11-16H,5-10H2,1-2H3;12-14,16H,1,8-10H2,2-7H3.

What are the key properties of [1-adamantyl-[(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxy]methyl] 2-methylprop-2-enoate;[1-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(5,5-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxymethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;[1-[(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-2,2-dimethylbutyl] 2-methylprop-2-enoate;(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?

[1-adamantyl-[(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxy]methyl] 2-methylprop-2-enoate;[1-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(5,5-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxymethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;[1-[(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-2,2-dimethylbutyl] 2-methylprop-2-enoate;(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 2393.45 g/mol, XLogP of 32.02, 31 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [1-adamantyl-[(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxy]methyl] 2-methylprop-2-enoate;[1-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate;(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(3,3-dimethyl-2-bicyclo[2.2.2]octanyl)oxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(5,5-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxymethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate;[1-[(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-2,2-dimethylbutyl] 2-methylprop-2-enoate;(9,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)oxymethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 161389331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).