C101H134O14 — CID 158031559
1-[1-(2-cyclohexylethoxy)ethoxy]-4-ethenylbenzene;1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-(1-ethoxypropoxy)benzene;1-ethenyl-4-(methoxymethoxy)benzene;1-ethenyl-4-[1-(2-methylpropoxy)ethoxy]benzene;1-ethenyl-4-[1-(2-phenylethoxy)ethoxy]benzene (PubChem CID 158031559) has the molecular formula C101H134O14 and a molecular weight of 1572.17 g/mol. Its IUPAC name is 1-[1-(2-cyclohexylethoxy)ethoxy]-4-ethenylbenzene;1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-(1-ethoxypropoxy)benzene;1-ethenyl-4-(methoxymethoxy)benzene;1-ethenyl-4-[1-(2-methylpropoxy)ethoxy]benzene;1-ethenyl-4-[1-(2-phenylethoxy)ethoxy]benzene.
| Compound Name | 1-[1-(2-cyclohexylethoxy)ethoxy]-4-ethenylbenzene;1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-(1-ethoxypropoxy)benzene;1-ethenyl-4-(methoxymethoxy)benzene;1-ethenyl-4-[1-(2-methylpropoxy)ethoxy]benzene;1-ethenyl-4-[1-(2-phenylethoxy)ethoxy]benzene |
|---|---|
| PubChem CID | 158031559 |
| Molecular Formula | C101H134O14 |
| Molecular Weight | 1572.17 g/mol |
| Exact Mass | 1570.98 |
| IUPAC Name | 1-[1-(2-cyclohexylethoxy)ethoxy]-4-ethenylbenzene;1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-(1-ethoxypropoxy)benzene;1-ethenyl-4-(methoxymethoxy)benzene;1-ethenyl-4-[1-(2-methylpropoxy)ethoxy]benzene;1-ethenyl-4-[1-(2-phenylethoxy)ethoxy]benzene |
| SMILES | C=Cc1ccc(OC(C)OC2CCCCC2)cc1.C=Cc1ccc(OC(C)OCC(C)C)cc1.C=Cc1ccc(OC(C)OCC)cc1.C=Cc1ccc(OC(C)OCCC2CCCCC2)cc1.C=Cc1ccc(OC(C)OCCc2ccccc2)cc1.C=Cc1ccc(OC(CC)OCC)cc1.C=Cc1ccc(OCOC)cc1 |
| InChI | InChI=1S/C18H26O2.C18H20O2.C16H22O2.C14H20O2.C13H18O2.C12H16O2.C10H12O2/c2*1-3-16-9-11-18(12-10-16)20-15(2)19-14-13-17-7-5-4-6-8-17;1-3-14-9-11-16(12-10-14)18-13(2)17-15-7-5-4-6-8-15;1-5-13-6-8-14(9-7-13)16-12(4)15-10-11(2)3;1-4-11-7-9-12(10-8-11)15-13(5-2)14-6-3;1-4-11-6-8-12(9-7-11)14-10(3)13-5-2;1-3-9-4-6-10(7-5-9)12-8-11-2/h3,9-12,15,17H,1,4-8,13-14H2,2H3;3-12,15H,1,13-14H2,2H3;3,9-13,15H,1,4-8H2,2H3;5-9,11-12H,1,10H2,2-4H3;4,7-10,13H,1,5-6H2,2-3H3;4,6-10H,1,5H2,2-3H3;3-7H,1,8H2,2H3 |
| InChIKey | FHFWJCUSCQDHFC-UHFFFAOYSA-N |
| XLogP | 26.37 |
| TPSA | 129.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 115 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1572.17 |
| LogP ≤ 5 | 26.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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