C185H376 — CID 160675072
1-[(Z)-but-2-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-butyl-4-(4-ethenylcyclohexyl)cyclohexane;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;molecular hydrogen;1-[(E)-pent-3-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-pentyl-4-(4-propylcyclohexyl)cyclohexane;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 160675072) has the molecular formula C185H376 and a molecular weight of 2601.04 g/mol. Its IUPAC name is 1-[(Z)-but-2-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-butyl-4-(4-ethenylcyclohexyl)cyclohexane;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;molecular hydrogen;1-[(E)-pent-3-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-pentyl-4-(4-propylcyclohexyl)cyclohexane;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane.
| Compound Name | 1-[(Z)-but-2-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-butyl-4-(4-ethenylcyclohexyl)cyclohexane;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;molecular hydrogen;1-[(E)-pent-3-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-pentyl-4-(4-propylcyclohexyl)cyclohexane;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane |
|---|---|
| PubChem CID | 160675072 |
| Molecular Formula | C185H376 |
| Molecular Weight | 2601.04 g/mol |
| Exact Mass | 2598.94 |
| IUPAC Name | 1-[(Z)-but-2-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-butyl-4-(4-ethenylcyclohexyl)cyclohexane;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;molecular hydrogen;1-[(E)-pent-3-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-pentyl-4-(4-propylcyclohexyl)cyclohexane;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane |
| SMILES | C/C=C/C1CCC(C2CCC(CCC)CC2)CC1.C/C=C/CCC1CCC(C2CCC(CCC)CC2)CC1.C/C=C\CC1CCC(C2CCC(CCC)CC2)CC1.C=CC1CCC(C2CCC(CCC)CC2)CC1.C=CC1CCC(C2CCC(CCCC)CC2)CC1.C=CC1CCC(C2CCC(CCCCC)CC2)CC1.C=CCC1CCC(C2CCC(CCC)CC2)CC1.CCCC1CCC(C2CCC(CC)CC2)CC1.CCCCC1CCC(C2CCC(CCC)CC2)CC1.CCCCCC1CCC(C2CCC(CCC)CC2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H] |
| InChI | InChI=1S/C20H38.C20H36.C19H34.C19H36.C19H34.3C18H32.C17H32.C17H30.20H2/c2*1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19;1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18;2*1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18;1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17;2*1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;2*1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16;;;;;;;;;;;;;;;;;;;;/h17-20H,3-16H2,1-2H3;3,5,17-20H,4,6-16H2,1-2H3;4,16-19H,2-3,5-15H2,1H3;16-19H,3-15H2,1-2H3;3,5,16-19H,4,6-15H2,1-2H3;4,15-18H,2-3,5-14H2,1H3;3,5,15-18H,4,6-14H2,1-2H3;3,15-18H,1,4-14H2,2H3;14-17H,3-13H2,1-2H3;4,14-17H,2-3,5-13H2,1H3;20*1H/b;5-3+;;;5-3-;;5-3+;;;;;;;;;;;;;;;;;;;;;;; |
| InChIKey | RNKRZOKOACYBBC-LJRQFFCLSA-N |
| XLogP | 67.30 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 52 |
| Heavy Atoms | 185 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2601.04 |
| LogP ≤ 5 | 67.30 |
| 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'} |
|---|