C238H346O48 — CID 158598817
[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;[dicyclopentyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclopentyl(furan-2-yl)methyl] prop-2-enoate;[dicyclopentyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclopentyl(oxolan-2-yl)methyl] prop-2-enoate;[1-(furan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(furan-2-yl)cyclohexyl] prop-2-enoate;[1-(furan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(furan-2-yl)cyclopentyl] prop-2-enoate;[1-(oxolan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(oxolan-2-yl)cyclohexyl] prop-2-enoate;[1-(oxolan-3-yl)cyclohexyl] prop-2-enoate;[1-(oxolan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclopentyl] prop-2-enoate (PubChem CID 158598817) has the molecular formula C238H346O48 and a molecular weight of 3975.34 g/mol. Its IUPAC name is [dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;[dicyclopentyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclopentyl(furan-2-yl)methyl] prop-2-enoate;[dicyclopentyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclopentyl(oxolan-2-yl)methyl] prop-2-enoate;[1-(furan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(furan-2-yl)cyclohexyl] prop-2-enoate;[1-(furan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(furan-2-yl)cyclopentyl] prop-2-enoate;[1-(oxolan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(oxolan-2-yl)cyclohexyl] prop-2-enoate;[1-(oxolan-3-yl)cyclohexyl] prop-2-enoate;[1-(oxolan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclopentyl] prop-2-enoate.
| Compound Name | [dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;[dicyclopentyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclopentyl(furan-2-yl)methyl] prop-2-enoate;[dicyclopentyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclopentyl(oxolan-2-yl)methyl] prop-2-enoate;[1-(furan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(furan-2-yl)cyclohexyl] prop-2-enoate;[1-(furan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(furan-2-yl)cyclopentyl] prop-2-enoate;[1-(oxolan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(oxolan-2-yl)cyclohexyl] prop-2-enoate;[1-(oxolan-3-yl)cyclohexyl] prop-2-enoate;[1-(oxolan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclopentyl] prop-2-enoate |
|---|---|
| PubChem CID | 158598817 |
| Molecular Formula | C238H346O48 |
| Molecular Weight | 3975.34 g/mol |
| Exact Mass | 3972.46 |
| IUPAC Name | [dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate;[dicyclopentyl(furan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclopentyl(furan-2-yl)methyl] prop-2-enoate;[dicyclopentyl(oxolan-2-yl)methyl] 2-methylprop-2-enoate;[dicyclopentyl(oxolan-2-yl)methyl] prop-2-enoate;[1-(furan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(furan-2-yl)cyclohexyl] prop-2-enoate;[1-(furan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(furan-2-yl)cyclopentyl] prop-2-enoate;[1-(oxolan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(oxolan-2-yl)cyclohexyl] prop-2-enoate;[1-(oxolan-3-yl)cyclohexyl] prop-2-enoate;[1-(oxolan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclopentyl] prop-2-enoate |
| SMILES | C=C(C)C(=O)OC(C1CCCC1)(C1CCCC1)C1CCCO1.C=C(C)C(=O)OC(c1ccco1)(C1CCCC1)C1CCCC1.C=C(C)C(=O)OC1(C2CCCO2)CCCC1.C=C(C)C(=O)OC1(C2CCCO2)CCCCC1.C=C(C)C(=O)OC1(C2CCOC2)CCCC1.C=C(C)C(=O)OC1(C2CCOC2)CCCCC1.C=C(C)C(=O)OC1(c2ccco2)CCCC1.C=C(C)C(=O)OC1(c2ccco2)CCCCC1.C=CC(=O)OC(C1CCCC1)(C1CCCC1)C1CCCO1.C=CC(=O)OC(C1CCCCC1)(C1CCCCC1)C1CCCO1.C=CC(=O)OC(c1ccco1)(C1CCCC1)C1CCCC1.C=CC(=O)OC1(C2CCCO2)CCCCC1.C=CC(=O)OC1(C2CCOC2)CCCC1.C=CC(=O)OC1(C2CCOC2)CCCCC1.C=CC(=O)OC1(c2ccco2)CCCC1.C=CC(=O)OC1(c2ccco2)CCCCC1 |
| InChI | InChI=1S/C20H32O3.C19H30O3.C19H26O3.C18H28O3.C18H24O3.C14H22O3.C14H18O3.C14H22O3.C13H20O3.C13H16O3.2C13H20O3.C13H16O3.C13H20O3.C12H14O3.C12H18O3/c1-2-19(21)23-20(18-14-9-15-22-18,16-10-5-3-6-11-16)17-12-7-4-8-13-17;2*1-14(2)18(20)22-19(15-8-3-4-9-15,16-10-5-6-11-16)17-12-7-13-21-17;2*1-2-17(19)21-18(14-8-3-4-9-14,15-10-5-6-11-15)16-12-7-13-20-16;2*1-11(2)13(15)17-14(8-4-3-5-9-14)12-7-6-10-16-12;1-11(2)13(15)17-14(7-4-3-5-8-14)12-6-9-16-10-12;2*1-10(2)12(14)16-13(7-3-4-8-13)11-6-5-9-15-11;1-10(2)12(14)16-13(6-3-4-7-13)11-5-8-15-9-11;2*1-2-12(14)16-13(8-4-3-5-9-13)11-7-6-10-15-11;1-2-12(14)16-13(7-4-3-5-8-13)11-6-9-15-10-11;1-2-11(13)15-12(7-3-4-8-12)10-6-5-9-14-10;1-2-11(13)15-12(6-3-4-7-12)10-5-8-14-9-10/h2,16-18H,1,3-15H2;15-17H,1,3-13H2,2H3;7,12-13,15-16H,1,3-6,8-11H2,2H3;2,14-16H,1,3-13H2;2,7,12-15H,1,3-6,8-11H2;12H,1,3-10H2,2H3;6-7,10H,1,3-5,8-9H2,2H3;12H,1,3-10H2,2H3;11H,1,3-9H2,2H3;5-6,9H,1,3-4,7-8H2,2H3;11H,1,3-9H2,2H3;2,11H,1,3-10H2;2,6-7,10H,1,3-5,8-9H2;2,11H,1,3-10H2;2,5-6,9H,1,3-4,7-8H2;2,10H,1,3-9H2 |
| InChIKey | HVJHJDUQNCULAF-UHFFFAOYSA-N |
| XLogP | 53.45 |
| TPSA | 591.94 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 58 |
| Heavy Atoms | 286 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3975.34 |
| LogP ≤ 5 | 53.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 48 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
|---|