C191H286O31 — CID 160614405
1-butoxy-4-methylbenzene;1-(butoxymethyl)-4-methylbenzene;1-(ethoxymethyl)-4-methylbenzene;1-(3-ethoxypropyl)-4-methylbenzene;1-(4-methoxybutyl)-4-methylbenzene;1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-methylbenzene;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-methylbenzene;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methylbenzene;1-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzene;1-(2-methoxyethoxy)-4-methylbenzene;1-(2-methoxyethyl)-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;1-(3-methoxypropyl)-4-methylbenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;1-methyl-4-(2-propoxyethyl)benzene (PubChem CID 160614405) has the molecular formula C191H286O31 and a molecular weight of 3078.36 g/mol. Its IUPAC name is 1-butoxy-4-methylbenzene;1-(butoxymethyl)-4-methylbenzene;1-(ethoxymethyl)-4-methylbenzene;1-(3-ethoxypropyl)-4-methylbenzene;1-(4-methoxybutyl)-4-methylbenzene;1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-methylbenzene;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-methylbenzene;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methylbenzene;1-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzene;1-(2-methoxyethoxy)-4-methylbenzene;1-(2-methoxyethyl)-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;1-(3-methoxypropyl)-4-methylbenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;1-methyl-4-(2-propoxyethyl)benzene.
| Compound Name | 1-butoxy-4-methylbenzene;1-(butoxymethyl)-4-methylbenzene;1-(ethoxymethyl)-4-methylbenzene;1-(3-ethoxypropyl)-4-methylbenzene;1-(4-methoxybutyl)-4-methylbenzene;1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-methylbenzene;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-methylbenzene;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methylbenzene;1-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzene;1-(2-methoxyethoxy)-4-methylbenzene;1-(2-methoxyethyl)-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;1-(3-methoxypropyl)-4-methylbenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;1-methyl-4-(2-propoxyethyl)benzene |
|---|---|
| PubChem CID | 160614405 |
| Molecular Formula | C191H286O31 |
| Molecular Weight | 3078.36 g/mol |
| Exact Mass | 3076.08 |
| IUPAC Name | 1-butoxy-4-methylbenzene;1-(butoxymethyl)-4-methylbenzene;1-(ethoxymethyl)-4-methylbenzene;1-(3-ethoxypropyl)-4-methylbenzene;1-(4-methoxybutyl)-4-methylbenzene;1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-methylbenzene;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-methylbenzene;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methylbenzene;1-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzene;1-(2-methoxyethoxy)-4-methylbenzene;1-(2-methoxyethyl)-4-methylbenzene;1-(methoxymethyl)-4-methylbenzene;1-(3-methoxypropyl)-4-methylbenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;1-methyl-4-(2-propoxyethyl)benzene |
| SMILES | CCCCCOc1ccc(C)cc1.CCCCOCc1ccc(C)cc1.CCCCOc1ccc(C)cc1.CCCOCCc1ccc(C)cc1.CCCOc1ccc(C)cc1.CCOCCCc1ccc(C)cc1.CCOCc1ccc(C)cc1.COCCCCc1ccc(C)cc1.COCCCc1ccc(C)cc1.COCCOCCOCCOCCOCCOc1ccc(C)cc1.COCCOCCOCCOCCOc1ccc(C)cc1.COCCOCCOCCOc1ccc(C)cc1.COCCOCCOc1ccc(C)cc1.COCCOc1ccc(C)cc1.COCCc1ccc(C)cc1.COCc1ccc(C)cc1 |
| InChI | InChI=1S/C18H30O6.C16H26O5.C14H22O4.C12H18O3.5C12H18O.2C11H16O.C10H14O2.3C10H14O.C9H12O/c1-17-3-5-18(6-4-17)24-16-15-23-14-13-22-12-11-21-10-9-20-8-7-19-2;1-15-3-5-16(6-4-15)21-14-13-20-12-11-19-10-9-18-8-7-17-2;1-13-3-5-14(6-4-13)18-12-11-17-10-9-16-8-7-15-2;1-11-3-5-12(6-4-11)15-10-9-14-8-7-13-2;1-11-6-8-12(9-7-11)5-3-4-10-13-2;1-3-9-13-10-8-12-6-4-11(2)5-7-12;1-3-13-10-4-5-12-8-6-11(2)7-9-12;1-3-4-9-13-10-12-7-5-11(2)6-8-12;1-3-4-5-10-13-12-8-6-11(2)7-9-12;1-10-5-7-11(8-6-10)4-3-9-12-2;1-3-4-9-12-11-7-5-10(2)6-8-11;1-9-3-5-10(6-4-9)12-8-7-11-2;1-9-3-5-10(6-4-9)7-8-11-2;1-3-11-8-10-6-4-9(2)5-7-10;1-3-8-11-10-6-4-9(2)5-7-10;1-8-3-5-9(6-4-8)7-10-2/h3-6H,7-16H2,1-2H3;3-6H,7-14H2,1-2H3;3-6H,7-12H2,1-2H3;3-6H,7-10H2,1-2H3;6-9H,3-5,10H2,1-2H3;4-7H,3,8-10H2,1-2H3;6-9H,3-5,10H2,1-2H3;5-8H,3-4,9-10H2,1-2H3;6-9H,3-5,10H2,1-2H3;2*5-8H,3-4,9H2,1-2H3;3-6H,7-8H2,1-2H3;3-6H,7-8H2,1-2H3;2*4-7H,3,8H2,1-2H3;3-6H,7H2,1-2H3 |
| InChIKey | RFXANPLCTIBWDS-UHFFFAOYSA-N |
| XLogP | 41.42 |
| TPSA | 286.13 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 94 |
| Heavy Atoms | 222 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3078.36 |
| LogP ≤ 5 | 41.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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