C158H304 — CID 157307820
1,4-bis(4-ethenylcyclohexyl)cyclohexane;1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-4-(4-methylcyclohexyl)cyclohexane;1-(4-ethenylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-[(E)-2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;molecular hydrogen (PubChem CID 157307820) has the molecular formula C158H304 and a molecular weight of 2204.17 g/mol. Its IUPAC name is 1,4-bis(4-ethenylcyclohexyl)cyclohexane;1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-4-(4-methylcyclohexyl)cyclohexane;1-(4-ethenylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-[(E)-2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;molecular hydrogen.
| Compound Name | 1,4-bis(4-ethenylcyclohexyl)cyclohexane;1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-4-(4-methylcyclohexyl)cyclohexane;1-(4-ethenylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-[(E)-2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;molecular hydrogen |
|---|---|
| PubChem CID | 157307820 |
| Molecular Formula | C158H304 |
| Molecular Weight | 2204.17 g/mol |
| Exact Mass | 2202.38 |
| IUPAC Name | 1,4-bis(4-ethenylcyclohexyl)cyclohexane;1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-4-(4-methylcyclohexyl)cyclohexane;1-(4-ethenylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-[(E)-2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;molecular hydrogen |
| SMILES | C/C=C/CCC1CCC(C2CCC(C)CC2)CC1.C=CC1CCC(/C=C/C2CCC(C3CCC(C)CC3)CC2)CC1.C=CC1CCC(/C=C/C2CCC(C3CCC(C=C)CC3)CC2)CC1.C=CC1CCC(C2CCC(/C=C/C)CC2)CC1.C=CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.C=CC1CCC(C2CCC(C3CCC(C=C)CC3)CC2)CC1.C=CC1CCC(C2CCC(C=C)CC2)CC1.C=CCCC1CCC(C2CCC(C)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/C24H38.C23H38.C22H36.C21H36.C18H32.C17H30.C17H28.C16H26.20H2/c1-3-19-5-7-21(8-6-19)9-10-22-13-17-24(18-14-22)23-15-11-20(4-2)12-16-23;1-3-19-6-8-20(9-7-19)10-11-21-12-16-23(17-13-21)22-14-4-18(2)5-15-22;1-3-17-5-9-19(10-6-17)21-13-15-22(16-14-21)20-11-7-18(4-2)8-12-20;1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18;1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16;1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16;;;;;;;;;;;;;;;;;;;;/h3-4,9-10,19-24H,1-2,5-8,11-18H2;3,10-11,18-23H,1,4-9,12-17H2,2H3;3-4,17-22H,1-2,5-16H2;3,16-21H,1,4-15H2,2H3;3-4,15-18H,5-14H2,1-2H3;3,14-17H,1,4-13H2,2H3;3-5,14-17H,2,6-13H2,1H3;3-4,13-16H,1-2,5-12H2;20*1H/b10-9+;11-10+;;;4-3+;;5-3+;;;;;;;;;;;;;;;;;;;;; |
| InChIKey | BCRRFBLGMNVJMM-QHOVZTSFSA-N |
| XLogP | 54.70 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 30 |
| Heavy Atoms | 158 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2204.17 |
| LogP ≤ 5 | 54.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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