C120H122O16Si2+2 — CID 160897108
cyclohexatrienol;dibenzofuran-4-yl(triethyl)silane;methoxycyclohexatriene;4-methoxydibenzofuran;2-methoxyphenol;1-methoxy-2-phenoxybenzene;2-(3-methoxyphenyl)phenol;2-methoxy-6-phenylphenol;2-phenoxyphenol;triethyl-(2-phenoxyphenyl)silane (PubChem CID 160897108) has the molecular formula C120H122O16Si2+2 and a molecular weight of 1876.45 g/mol. Its IUPAC name is cyclohexatrienol;dibenzofuran-4-yl(triethyl)silane;methoxycyclohexatriene;4-methoxydibenzofuran;2-methoxyphenol;1-methoxy-2-phenoxybenzene;2-(3-methoxyphenyl)phenol;2-methoxy-6-phenylphenol;2-phenoxyphenol;triethyl-(2-phenoxyphenyl)silane.
| Compound Name | cyclohexatrienol;dibenzofuran-4-yl(triethyl)silane;methoxycyclohexatriene;4-methoxydibenzofuran;2-methoxyphenol;1-methoxy-2-phenoxybenzene;2-(3-methoxyphenyl)phenol;2-methoxy-6-phenylphenol;2-phenoxyphenol;triethyl-(2-phenoxyphenyl)silane |
|---|---|
| PubChem CID | 160897108 |
| Molecular Formula | C120H122O16Si2+2 |
| Molecular Weight | 1876.45 g/mol |
| Exact Mass | 1874.83 |
| IUPAC Name | cyclohexatrienol;dibenzofuran-4-yl(triethyl)silane;methoxycyclohexatriene;4-methoxydibenzofuran;2-methoxyphenol;1-methoxy-2-phenoxybenzene;2-(3-methoxyphenyl)phenol;2-methoxy-6-phenylphenol;2-phenoxyphenol;triethyl-(2-phenoxyphenyl)silane |
| SMILES | CC[Si](CC)(CC)c1cccc2c1oc1ccccc12.CC[Si](CC)(CC)c1ccccc1Oc1ccccc1.COC1=CC=CC=[C+]1.COc1cccc(-c2ccccc2)c1O.COc1cccc(-c2ccccc2O)c1.COc1cccc2c1oc1ccccc12.COc1ccccc1O.COc1ccccc1Oc1ccccc1.OC1=CC=CC=[C+]1.Oc1ccccc1Oc1ccccc1 |
| InChI | InChI=1S/C18H22OSi.C18H24OSi.C13H10O2.3C13H12O2.C12H10O2.C7H8O2.C7H7O.C6H4O/c1-4-20(5-2,6-3)17-13-9-11-15-14-10-7-8-12-16(14)19-18(15)17;1-4-20(5-2,6-3)18-15-11-10-14-17(18)19-16-12-8-7-9-13-16;1-14-12-8-4-6-10-9-5-2-3-7-11(9)15-13(10)12;1-15-11-6-4-5-10(9-11)12-7-2-3-8-13(12)14;1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11;1-15-12-9-5-8-11(13(12)14)10-6-3-2-4-7-10;13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;1-9-7-5-3-2-4-6(7)8;1-8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h7-13H,4-6H2,1-3H3;7-15H,4-6H2,1-3H3;2-8H,1H3;2-9,14H,1H3;2-10H,1H3;2-9,14H,1H3;1-9,13H;2-5,8H,1H3;2-5H,1H3;1-4H/q;;;;;;;;+1;/p+1 |
| InChIKey | SPAFYPDNUMWJRM-UHFFFAOYSA-O |
| XLogP | 31.10 |
| TPSA | 210.50 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 138 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1876.45 |
| LogP ≤ 5 | 31.10 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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