C182H300O32 — CID 162094296
4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate (PubChem CID 162094296) has the molecular formula C182H300O32 and a molecular weight of 3000.37 g/mol. Its IUPAC name is 4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate.
| Compound Name | 4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate |
|---|---|
| PubChem CID | 162094296 |
| Molecular Formula | C182H300O32 |
| Molecular Weight | 3000.37 g/mol |
| Exact Mass | 2998.18 |
| IUPAC Name | 4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate |
| SMILES | C=C(C)C(=O)OCCC1(CCOC(=O)C(=C)C)CCC(C2CCC(CCC)CC2)CC1.C=C(C)C(=O)OCCC1(CCOC(=O)C(=C)C)CCC(CCC)CC1.C=C(C)C(=O)OCCCCCCOC(=O)C1CCC(C2CCC(CCCCC)CC2)CC1.C=C(C)C(=O)OCCCCOC(=O)C1CCC(CCC)CC1.C=CC(=O)OCCC1(CCOC(=O)C=C)CCC(C2CCC(CCC)CC2)CC1.C=CC(=O)OCCC1(CCOC(=O)C=C)CCC(CCC)CC1.C=CC(=O)OCCCCCCOC(=O)C1CCC(C2CCC(CCCCC)CC2)CC1.C=CC(=O)OCCCCOC(=O)C1CCC(CCC)CC1 |
| InChI | InChI=1S/C28H48O4.C27H44O4.C27H46O4.C25H40O4.C21H34O4.C19H30O4.C18H30O4.C17H28O4/c1-4-5-8-11-23-12-14-24(15-13-23)25-16-18-26(19-17-25)28(30)32-21-10-7-6-9-20-31-27(29)22(2)3;1-6-7-22-8-10-23(11-9-22)24-12-14-27(15-13-24,16-18-30-25(28)20(2)3)17-19-31-26(29)21(4)5;1-3-5-8-11-22-12-14-23(15-13-22)24-16-18-25(19-17-24)27(29)31-21-10-7-6-9-20-30-26(28)4-2;1-4-7-20-8-10-21(11-9-20)22-12-14-25(15-13-22,16-18-28-23(26)5-2)17-19-29-24(27)6-3;1-6-7-18-8-10-21(11-9-18,12-14-24-19(22)16(2)3)13-15-25-20(23)17(4)5;1-4-7-16-8-10-19(11-9-16,12-14-22-17(20)5-2)13-15-23-18(21)6-3;1-4-7-15-8-10-16(11-9-15)18(20)22-13-6-5-12-21-17(19)14(2)3;1-3-7-14-8-10-15(11-9-14)17(19)21-13-6-5-12-20-16(18)4-2/h23-26H,2,4-21H2,1,3H3;22-24H,2,4,6-19H2,1,3,5H3;4,22-25H,2-3,5-21H2,1H3;5-6,20-22H,2-4,7-19H2,1H3;18H,2,4,6-15H2,1,3,5H3;5-6,16H,2-4,7-15H2,1H3;15-16H,2,4-13H2,1,3H3;4,14-15H,2-3,5-13H2,1H3 |
| InChIKey | ZEANPTKEAGWGJY-UHFFFAOYSA-N |
| XLogP | 44.08 |
| TPSA | 420.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 88 |
| Heavy Atoms | 214 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3000.37 |
| LogP ≤ 5 | 44.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
|---|