C175H224O35 — CID 161003979
ethane;[4-[[4-(2-methylprop-2-enoyloxy)phenoxy]methyl]phenyl] 2-methylprop-2-enoate;[4-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]propan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[(4-prop-2-enoyloxyphenoxy)methyl]phenyl] 2-methylprop-2-enoate;[4-[(4-prop-2-enoyloxyphenoxy)methyl]phenyl] prop-2-enoate;[4-[2-(4-prop-2-enoyloxyphenoxy)propan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[(4-prop-2-enoyloxyphenyl)methoxy]phenyl] 2-methylprop-2-enoate;[4-[2-(4-prop-2-enoyloxyphenyl)propan-2-yloxy]phenyl] 2-methylprop-2-enoate (PubChem CID 161003979) has the molecular formula C175H224O35 and a molecular weight of 2887.68 g/mol. Its IUPAC name is ethane;[4-[[4-(2-methylprop-2-enoyloxy)phenoxy]methyl]phenyl] 2-methylprop-2-enoate;[4-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]propan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[(4-prop-2-enoyloxyphenoxy)methyl]phenyl] 2-methylprop-2-enoate;[4-[(4-prop-2-enoyloxyphenoxy)methyl]phenyl] prop-2-enoate;[4-[2-(4-prop-2-enoyloxyphenoxy)propan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[(4-prop-2-enoyloxyphenyl)methoxy]phenyl] 2-methylprop-2-enoate;[4-[2-(4-prop-2-enoyloxyphenyl)propan-2-yloxy]phenyl] 2-methylprop-2-enoate.
| Compound Name | ethane;[4-[[4-(2-methylprop-2-enoyloxy)phenoxy]methyl]phenyl] 2-methylprop-2-enoate;[4-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]propan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[(4-prop-2-enoyloxyphenoxy)methyl]phenyl] 2-methylprop-2-enoate;[4-[(4-prop-2-enoyloxyphenoxy)methyl]phenyl] prop-2-enoate;[4-[2-(4-prop-2-enoyloxyphenoxy)propan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[(4-prop-2-enoyloxyphenyl)methoxy]phenyl] 2-methylprop-2-enoate;[4-[2-(4-prop-2-enoyloxyphenyl)propan-2-yloxy]phenyl] 2-methylprop-2-enoate |
|---|---|
| PubChem CID | 161003979 |
| Molecular Formula | C175H224O35 |
| Molecular Weight | 2887.68 g/mol |
| Exact Mass | 2885.57 |
| IUPAC Name | ethane;[4-[[4-(2-methylprop-2-enoyloxy)phenoxy]methyl]phenyl] 2-methylprop-2-enoate;[4-[2-[4-(2-methylprop-2-enoyloxy)phenoxy]propan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[(4-prop-2-enoyloxyphenoxy)methyl]phenyl] 2-methylprop-2-enoate;[4-[(4-prop-2-enoyloxyphenoxy)methyl]phenyl] prop-2-enoate;[4-[2-(4-prop-2-enoyloxyphenoxy)propan-2-yl]phenyl] 2-methylprop-2-enoate;[4-[(4-prop-2-enoyloxyphenyl)methoxy]phenyl] 2-methylprop-2-enoate;[4-[2-(4-prop-2-enoyloxyphenyl)propan-2-yloxy]phenyl] 2-methylprop-2-enoate |
| SMILES | C=C(C)C(=O)Oc1ccc(COc2ccc(OC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)Oc1ccc(OC(C)(C)c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)Oc1ccc(C(C)(C)Oc2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)Oc1ccc(COc2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)Oc1ccc(COc2ccc(OC(=O)C=C)cc2)cc1.C=CC(=O)Oc1ccc(OC(C)(C)c2ccc(OC(=O)C(=C)C)cc2)cc1.C=CC(=O)Oc1ccc(OCc2ccc(OC(=O)C(=C)C)cc2)cc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC |
| InChI | InChI=1S/C23H24O5.2C22H22O5.C21H20O5.2C20H18O5.C19H16O5.14C2H6/c1-15(2)21(24)26-18-9-7-17(8-10-18)23(5,6)28-20-13-11-19(12-14-20)27-22(25)16(3)4;1-6-20(23)25-17-11-13-19(14-12-17)27-22(4,5)16-7-9-18(10-8-16)26-21(24)15(2)3;1-6-20(23)25-17-9-7-16(8-10-17)22(4,5)27-19-13-11-18(12-14-19)26-21(24)15(2)3;1-14(2)20(22)25-18-7-5-16(6-8-18)13-24-17-9-11-19(12-10-17)26-21(23)15(3)4;1-4-19(21)24-17-11-9-16(10-12-17)23-13-15-5-7-18(8-6-15)25-20(22)14(2)3;1-4-19(21)24-17-7-5-15(6-8-17)13-23-16-9-11-18(12-10-16)25-20(22)14(2)3;1-3-18(20)23-16-7-5-14(6-8-16)13-22-15-9-11-17(12-10-15)24-19(21)4-2;14*1-2/h7-14H,1,3H2,2,4-6H3;2*6-14H,1-2H2,3-5H3;5-12H,1,3,13H2,2,4H3;2*4-12H,1-2,13H2,3H3;3-12H,1-2,13H2;14*1-2H3 |
| InChIKey | TWGLLLVVQRGGSI-UHFFFAOYSA-N |
| XLogP | 43.83 |
| TPSA | 432.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 210 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2887.68 |
| LogP ≤ 5 | 43.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'} |
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