C216H380 — CID 159275982
1,4-bis[(E)-pent-1-enyl]cyclohexane;1-but-3-enyl-4-ethenylcyclohexane;1-[(E)-dec-3-enyl]-4-ethenylcyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-ethenyl-4-[(E)-hept-3-enyl]cyclohexane;1-ethenyl-4-[(E)-hex-3-enyl]cyclohexane;1-ethenyl-4-[(E)-non-3-enyl]cyclohexane;1-ethenyl-4-[(E)-oct-3-enyl]cyclohexane;1-ethenyl-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane (PubChem CID 159275982) has the molecular formula C216H380 and a molecular weight of 2977.42 g/mol. Its IUPAC name is 1,4-bis[(E)-pent-1-enyl]cyclohexane;1-but-3-enyl-4-ethenylcyclohexane;1-[(E)-dec-3-enyl]-4-ethenylcyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-ethenyl-4-[(E)-hept-3-enyl]cyclohexane;1-ethenyl-4-[(E)-hex-3-enyl]cyclohexane;1-ethenyl-4-[(E)-non-3-enyl]cyclohexane;1-ethenyl-4-[(E)-oct-3-enyl]cyclohexane;1-ethenyl-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane.
| Compound Name | 1,4-bis[(E)-pent-1-enyl]cyclohexane;1-but-3-enyl-4-ethenylcyclohexane;1-[(E)-dec-3-enyl]-4-ethenylcyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-ethenyl-4-[(E)-hept-3-enyl]cyclohexane;1-ethenyl-4-[(E)-hex-3-enyl]cyclohexane;1-ethenyl-4-[(E)-non-3-enyl]cyclohexane;1-ethenyl-4-[(E)-oct-3-enyl]cyclohexane;1-ethenyl-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane |
|---|---|
| PubChem CID | 159275982 |
| Molecular Formula | C216H380 |
| Molecular Weight | 2977.42 g/mol |
| Exact Mass | 2974.97 |
| IUPAC Name | 1,4-bis[(E)-pent-1-enyl]cyclohexane;1-but-3-enyl-4-ethenylcyclohexane;1-[(E)-dec-3-enyl]-4-ethenylcyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-ethenyl-4-[(E)-hept-3-enyl]cyclohexane;1-ethenyl-4-[(E)-hex-3-enyl]cyclohexane;1-ethenyl-4-[(E)-non-3-enyl]cyclohexane;1-ethenyl-4-[(E)-oct-3-enyl]cyclohexane;1-ethenyl-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane |
| SMILES | C=CC1CCC(CC/C=C/C)CC1.C=CC1CCC(CC/C=C/CC)CC1.C=CC1CCC(CC/C=C/CCC)CC1.C=CC1CCC(CC/C=C/CCCC)CC1.C=CC1CCC(CC/C=C/CCCCC)CC1.C=CC1CCC(CC/C=C/CCCCCC)CC1.C=CCCC1CCC(C=C)CC1.CCC/C=C/C1CCC(/C=C/CCC)CC1.CCC/C=C/C1CCC(/C=C/CCCC)CC1.CCC/C=C/C1CCC(/C=C/CCCCC)CC1.CCC/C=C/C1CCC(/C=C/CCCCCC)CC1.CCC/C=C/C1CCC(/C=C/CCCCCCC)CC1.CCC/C=C/C1CCC(/C=C/CCCCCCCC)CC1 |
| InChI | InChI=1S/C21H38.C20H36.C19H34.2C18H32.2C17H30.2C16H28.C15H26.C14H24.C13H22.C12H20/c1-3-5-7-8-9-10-11-13-15-21-18-16-20(17-19-21)14-12-6-4-2;1-3-5-7-8-9-10-12-14-20-17-15-19(16-18-20)13-11-6-4-2;1-3-5-7-8-9-11-13-19-16-14-18(15-17-19)12-10-6-4-2;1-3-5-6-7-8-9-10-11-12-18-15-13-17(4-2)14-16-18;1-3-5-7-8-10-12-18-15-13-17(14-16-18)11-9-6-4-2;1-3-5-6-7-8-9-10-11-17-14-12-16(4-2)13-15-17;1-3-5-7-9-11-17-14-12-16(13-15-17)10-8-6-4-2;1-3-5-6-7-8-9-10-16-13-11-15(4-2)12-14-16;1-3-5-7-9-15-11-13-16(14-12-15)10-8-6-4-2;1-3-5-6-7-8-9-15-12-10-14(4-2)11-13-15;1-3-5-6-7-8-14-11-9-13(4-2)10-12-14;1-3-5-6-7-13-10-8-12(4-2)9-11-13;1-3-5-6-12-9-7-11(4-2)8-10-12/h12-15,20-21H,3-11,16-19H2,1-2H3;11-14,19-20H,3-10,15-18H2,1-2H3;10-13,18-19H,3-9,14-17H2,1-2H3;4,9-10,17-18H,2-3,5-8,11-16H2,1H3;9-12,17-18H,3-8,13-16H2,1-2H3;4,8-9,16-17H,2-3,5-7,10-15H2,1H3;8-11,16-17H,3-7,12-15H2,1-2H3;4,7-8,15-16H,2-3,5-6,9-14H2,1H3;7-10,15-16H,3-6,11-14H2,1-2H3;4,6-7,14-15H,2-3,5,8-13H2,1H3;4-6,13-14H,2-3,7-12H2,1H3;3-5,12-13H,2,6-11H2,1H3;3-4,11-12H,1-2,5-10H2/b14-12+,15-13+;13-11+,14-12+;12-10+,13-11+;10-9+;11-9+,12-10+;9-8+;10-8+,11-9+;8-7+;9-7+,10-8+;7-6+;6-5+;5-3+; |
| InChIKey | KYHVIPBIMUHLCL-VFYMDPNYSA-N |
| XLogP | 74.69 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 94 |
| Heavy Atoms | 216 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2977.42 |
| LogP ≤ 5 | 74.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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