C170H338 — CID 159707196
1-[(E)-but-2-enyl]-4-(4-butylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-ethylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-butyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-ethyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;molecular hydrogen;1-pentyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 159707196) has the molecular formula C170H338 and a molecular weight of 2382.57 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-4-(4-butylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-ethylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-butyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-ethyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;molecular hydrogen;1-pentyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane.
| Compound Name | 1-[(E)-but-2-enyl]-4-(4-butylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-ethylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-butyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-ethyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;molecular hydrogen;1-pentyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane |
|---|---|
| PubChem CID | 159707196 |
| Molecular Formula | C170H338 |
| Molecular Weight | 2382.57 g/mol |
| Exact Mass | 2380.64 |
| IUPAC Name | 1-[(E)-but-2-enyl]-4-(4-butylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-ethylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-butyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-ethyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;molecular hydrogen;1-pentyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane |
| SMILES | C/C=C/C1CCC(C2CCC(/C=C/C)CC2)CC1.C/C=C/CC1CCC(C2CCC(CC)CC2)CC1.C/C=C/CC1CCC(C2CCC(CCC)CC2)CC1.C/C=C/CC1CCC(C2CCC(CCCC)CC2)CC1.C/C=C/CC1CCC(C2CCC(CCCCC)CC2)CC1.C=CCC1CCC(C2CCC(CC)CC2)CC1.C=CCC1CCC(C2CCC(CCC)CC2)CC1.C=CCC1CCC(C2CCC(CCCC)CC2)CC1.C=CCC1CCC(C2CCC(CCCCC)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] |
| InChI | InChI=1S/C21H38.2C20H36.2C19H34.2C18H32.C18H30.C17H30.18H2/c1-3-5-7-9-19-12-16-21(17-13-19)20-14-10-18(11-15-20)8-6-4-2;1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19;1-3-5-7-17-9-13-19(14-10-17)20-15-11-18(12-16-20)8-6-4-2;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;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16;;;;;;;;;;;;;;;;;;/h4,6,18-21H,3,5,7-17H2,1-2H3;4,17-20H,2-3,5-16H2,1H3;3,5,17-20H,4,6-16H2,1-2H3;3,5,16-19H,4,6-15H2,1-2H3;4,16-19H,2-3,5-15H2,1H3;3,5,15-18H,4,6-14H2,1-2H3;3,15-18H,1,4-14H2,2H3;3-6,15-18H,7-14H2,1-2H3;3,14-17H,1,4-13H2,2H3;18*1H/b6-4+;;2*5-3+;;5-3+;;5-3+,6-4+;;;;;;;;;;;;;;;;;;; |
| InChIKey | MYJAUTWSGNSSAY-JRUJMSCQSA-N |
| XLogP | 61.10 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 47 |
| Heavy Atoms | 170 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2382.57 |
| LogP ≤ 5 | 61.10 |
| 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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