C185H274 — CID 160747306
9-benzyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-butyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;9-hexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-octyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(2-phenylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-phenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene (PubChem CID 160747306) has the molecular formula C185H274 and a molecular weight of 2498.23 g/mol. Its IUPAC name is 9-benzyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-butyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;9-hexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-octyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(2-phenylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-phenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene.
| Compound Name | 9-benzyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-butyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;9-hexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-octyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(2-phenylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-phenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene |
|---|---|
| PubChem CID | 160747306 |
| Molecular Formula | C185H274 |
| Molecular Weight | 2498.23 g/mol |
| Exact Mass | 2496.14 |
| IUPAC Name | 9-benzyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-butyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;9-hexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-octyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(2-phenylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-phenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene |
| SMILES | C1=CC2CC1C1C3CC(CCc4ccccc4)C(C3)C21.C1=CC2CC1C1C3CC(Cc4ccccc4)C(C3)C21.C1=CC2CC1C1C3CC(c4ccccc4)C(C3)C21.C1=CC2CC1C1C3CCC(C3)C21.CCCCC1CC2CC1C1C3C=CC(C3)C21.CCCCCCC1CC2CC1C1C3C=CC(C3)C21.CCCCCCCCC1CC2CC1C1C3C=CC(C3)C21.CCCCCCCCCCC1CC2CC1C1C3C=CC(C3)C21.CCCCCCCCCCCCC1CC2C=CC1C2.CCCCCCCCCCCCCCC1CC2C=CC1C2 |
| InChI | InChI=1S/C22H36.C21H38.C20H24.C20H32.C19H22.C19H34.C18H20.C18H28.C16H24.C12H16/c1-2-3-4-5-6-7-8-9-10-16-13-19-15-20(16)22-18-12-11-17(14-18)21(19)22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-17-19-15-16-21(20)18-19;1-2-4-13(5-3-1)6-7-14-10-17-12-18(14)20-16-9-8-15(11-16)19(17)20;1-2-3-4-5-6-7-8-14-11-17-13-18(14)20-16-10-9-15(12-16)19(17)20;1-2-4-12(5-3-1)8-15-10-16-11-17(15)19-14-7-6-13(9-14)18(16)19;1-2-3-4-5-6-7-8-9-10-11-12-18-15-17-13-14-19(18)16-17;1-2-4-11(5-3-1)15-9-14-10-16(15)18-13-7-6-12(8-13)17(14)18;1-2-3-4-5-6-12-9-15-11-16(12)18-14-8-7-13(10-14)17(15)18;1-2-3-4-10-7-13-9-14(10)16-12-6-5-11(8-12)15(13)16;1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11/h11-12,16-22H,2-10,13-15H2,1H3;15-16,19-21H,2-14,17-18H2,1H3;1-5,8-9,14-20H,6-7,10-12H2;9-10,14-20H,2-8,11-13H2,1H3;1-7,13-19H,8-11H2;13-14,17-19H,2-12,15-16H2,1H3;1-7,12-18H,8-10H2;7-8,12-18H,2-6,9-11H2,1H3;5-6,10-16H,2-4,7-9H2,1H3;1-2,7-12H,3-6H2 |
| InChIKey | RWIVXOHTZURPTB-UHFFFAOYSA-N |
| XLogP | 51.70 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 54 |
| Heavy Atoms | 185 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2498.23 |
| LogP ≤ 5 | 51.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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