C138H256 — CID 159199082
1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane (PubChem CID 159199082) has the molecular formula C138H256 and a molecular weight of 1915.57 g/mol. Its IUPAC name is 1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane.
| Compound Name | 1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane |
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| PubChem CID | 159199082 |
| Molecular Formula | C138H256 |
| Molecular Weight | 1915.57 g/mol |
| Exact Mass | 1914.00 |
| IUPAC Name | 1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-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/C1CCC(CCCCCCCCCC)CC1.C/C=C/CCC1CCC(/C=C/C)CC1 |
| InChI | InChI=1S/C19H36.C18H34.C17H32.C16H30.C15H28.C14H26.C14H24.C13H24.C12H22/c1-3-5-6-7-8-9-10-11-13-19-16-14-18(12-4-2)15-17-19;1-3-5-6-7-8-9-10-12-18-15-13-17(11-4-2)14-16-18;1-3-5-6-7-8-9-11-17-14-12-16(10-4-2)13-15-17;1-3-5-6-7-8-10-16-13-11-15(9-4-2)12-14-16;1-3-5-6-7-9-15-12-10-14(8-4-2)11-13-15;2*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/h4,12,18-19H,3,5-11,13-17H2,1-2H3;4,11,17-18H,3,5-10,12-16H2,1-2H3;4,10,16-17H,3,5-9,11-15H2,1-2H3;4,9,15-16H,3,5-8,10-14H2,1-2H3;4,8,14-15H,3,5-7,9-13H2,1-2H3;4,7,13-14H,3,5-6,8-12H2,1-2H3;3-5,7,13-14H,6,8-12H2,1-2H3;4,6,12-13H,3,5,7-11H2,1-2H3;3,5,11-12H,4,6-10H2,1-2H3/b12-4+;11-4+;10-4+;9-4+;8-4+;7-4+;5-3+,7-4+;6-4+;5-3+ |
| InChIKey | KPAVJCHRHQWOCV-TYFOADQRSA-N |
| XLogP | 49.00 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 56 |
| Heavy Atoms | 138 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1915.57 |
| LogP ≤ 5 | 49.00 |
| 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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