C309H560 — CID 158654378
1,4-bis[(E)-pent-3-enyl]cyclohexane;1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-dec-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hex-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-non-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-oct-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane (PubChem CID 158654378) has the molecular formula C309H560 and a molecular weight of 4275.88 g/mol. Its IUPAC name is 1,4-bis[(E)-pent-3-enyl]cyclohexane;1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-dec-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hex-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-non-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-oct-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane.
| Compound Name | 1,4-bis[(E)-pent-3-enyl]cyclohexane;1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-dec-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hex-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-non-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-oct-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane |
|---|---|
| PubChem CID | 158654378 |
| Molecular Formula | C309H560 |
| Molecular Weight | 4275.88 g/mol |
| Exact Mass | 4272.38 |
| IUPAC Name | 1,4-bis[(E)-pent-3-enyl]cyclohexane;1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-dec-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hex-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-non-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-oct-3-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane |
| SMILES | C/C=C/C1CCC(CCC)CC1.C/C=C/C1CCC(CCCC)CC1.C/C=C/C1CCC(CCCCC)CC1.C/C=C/C1CCC(CCCCCC)CC1.C/C=C/C1CCC(CCCCCCC)CC1.C/C=C/C1CCC(CCCCCCCC)CC1.C/C=C/C1CCC(CCCCCCCCC)CC1.C/C=C/CCC1CCC(/C=C/CCC)CC1.C/C=C/CCC1CCC(/C=C/CCCC)CC1.C/C=C/CCC1CCC(/C=C/CCCCC)CC1.C/C=C/CCC1CCC(/C=C/CCCCCC)CC1.C/C=C/CCC1CCC(/C=C/CCCCCCC)CC1.C/C=C/CCC1CCC(/C=C/CCCCCCCC)CC1.C/C=C/CCC1CCC(CC/C=C/C)CC1.C/C=C/CCC1CCC(CC/C=C/CC)CC1.C/C=C/CCC1CCC(CC/C=C/CCCC)CC1.C/C=C/CCC1CCC(CC/C=C/CCCCC)CC1.C/C=C/CCC1CCC(CC/C=C/CCCCCC)CC1 |
| InChI | InChI=1S/2C21H38.2C20H36.2C19H34.C18H34.C18H32.C17H32.2C17H30.C16H30.2C16H28.C15H28.C14H26.C13H24.C12H22/c2*1-3-5-7-8-9-10-11-13-15-21-18-16-20(17-19-21)14-12-6-4-2;2*1-3-5-7-8-9-10-12-14-20-17-15-19(16-18-20)13-11-6-4-2;2*1-3-5-7-8-9-11-13-19-16-14-18(15-17-19)12-10-6-4-2;1-3-5-6-7-8-9-10-12-18-15-13-17(11-4-2)14-16-18;1-3-5-7-8-10-12-18-15-13-17(14-16-18)11-9-6-4-2;1-3-5-6-7-8-9-11-17-14-12-16(10-4-2)13-15-17;2*1-3-5-7-9-11-17-14-12-16(13-15-17)10-8-6-4-2;1-3-5-6-7-8-10-16-13-11-15(9-4-2)12-14-16;2*1-3-5-7-9-15-11-13-16(14-12-15)10-8-6-4-2;1-3-5-6-7-9-15-12-10-14(8-4-2)11-13-15;1-3-5-6-8-14-11-9-13(7-4-2)10-12-14;1-3-5-7-13-10-8-12(6-4-2)9-11-13;1-3-5-11-7-9-12(6-4-2)10-8-11/h4,6,13,15,20-21H,3,5,7-12,14,16-19H2,1-2H3;4,6,10-11,20-21H,3,5,7-9,12-19H2,1-2H3;4,6,12,14,19-20H,3,5,7-11,13,15-18H2,1-2H3;4,6,9-10,19-20H,3,5,7-8,11-18H2,1-2H3;4,6,11,13,18-19H,3,5,7-10,12,14-17H2,1-2H3;4,6,8-9,18-19H,3,5,7,10-17H2,1-2H3;4,11,17-18H,3,5-10,12-16H2,1-2H3;4,6,10,12,17-18H,3,5,7-9,11,13-16H2,1-2H3;4,10,16-17H,3,5-9,11-15H2,1-2H3;4,6,9,11,16-17H,3,5,7-8,10,12-15H2,1-2H3;4-7,16-17H,3,8-15H2,1-2H3;4,9,15-16H,3,5-8,10-14H2,1-2H3;3,5,8,10,15-16H,4,6-7,9,11-14H2,1-2H3;3-6,15-16H,7-14H2,1-2H3;4,8,14-15H,3,5-7,9-13H2,1-2H3;4,7,13-14H,3,5-6,8-12H2,1-2H3;4,6,12-13H,3,5,7-11H2,1-2H3;3,5,11-12H,4,6-10H2,1-2H3/b6-4+,15-13+;6-4+,11-10+;6-4+,14-12+;6-4+,10-9+;6-4+,13-11+;6-4+,9-8+;11-4+;6-4+,12-10+;10-4+;6-4+,11-9+;6-4+,7-5+;9-4+;5-3+,10-8+;5-3+,6-4+;8-4+;7-4+;6-4+;5-3+ |
| InChIKey | IBYHUHRQIIWTNO-TVZOJHLKSA-N |
| XLogP | 108.86 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 136 |
| Heavy Atoms | 309 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4275.88 |
| LogP ≤ 5 | 108.86 |
| 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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