C96H184O10Si5 — CID 158652153
2-methoxy-2-methylbutane;1-methoxy-1-methylcyclohexane;1-methoxy-1-methylcyclopentane;2-methoxy-2-methylpentane;2-methoxy-2-methylpropane;2-methylbutan-2-yloxybenzene;(1-methylcyclohexyl)oxybenzene;(1-methylcyclopentyl)oxybenzene;2-methylpentan-2-yloxybenzene;(2-methylpropan-2-yl)oxybenzene;methylsilane (PubChem CID 158652153) has the molecular formula C96H184O10Si5 and a molecular weight of 1638.95 g/mol. Its IUPAC name is 2-methoxy-2-methylbutane;1-methoxy-1-methylcyclohexane;1-methoxy-1-methylcyclopentane;2-methoxy-2-methylpentane;2-methoxy-2-methylpropane;2-methylbutan-2-yloxybenzene;(1-methylcyclohexyl)oxybenzene;(1-methylcyclopentyl)oxybenzene;2-methylpentan-2-yloxybenzene;(2-methylpropan-2-yl)oxybenzene;methylsilane.
| Compound Name | 2-methoxy-2-methylbutane;1-methoxy-1-methylcyclohexane;1-methoxy-1-methylcyclopentane;2-methoxy-2-methylpentane;2-methoxy-2-methylpropane;2-methylbutan-2-yloxybenzene;(1-methylcyclohexyl)oxybenzene;(1-methylcyclopentyl)oxybenzene;2-methylpentan-2-yloxybenzene;(2-methylpropan-2-yl)oxybenzene;methylsilane |
|---|---|
| PubChem CID | 158652153 |
| Molecular Formula | C96H184O10Si5 |
| Molecular Weight | 1638.95 g/mol |
| Exact Mass | 1637.27 |
| IUPAC Name | 2-methoxy-2-methylbutane;1-methoxy-1-methylcyclohexane;1-methoxy-1-methylcyclopentane;2-methoxy-2-methylpentane;2-methoxy-2-methylpropane;2-methylbutan-2-yloxybenzene;(1-methylcyclohexyl)oxybenzene;(1-methylcyclopentyl)oxybenzene;2-methylpentan-2-yloxybenzene;(2-methylpropan-2-yl)oxybenzene;methylsilane |
| SMILES | CC(C)(C)Oc1ccccc1.CC1(Oc2ccccc2)CCCC1.CC1(Oc2ccccc2)CCCCC1.CCC(C)(C)OC.CCC(C)(C)Oc1ccccc1.CCCC(C)(C)OC.CCCC(C)(C)Oc1ccccc1.COC(C)(C)C.COC1(C)CCCC1.COC1(C)CCCCC1.C[SiH3].C[SiH3].C[SiH3].C[SiH3].C[SiH3] |
| InChI | InChI=1S/C13H18O.C12H16O.C12H18O.C11H16O.C10H14O.C8H16O.C7H14O.C7H16O.C6H14O.C5H12O.5CH6Si/c1-13(10-6-3-7-11-13)14-12-8-4-2-5-9-12;1-12(9-5-6-10-12)13-11-7-3-2-4-8-11;1-4-10-12(2,3)13-11-8-6-5-7-9-11;1-4-11(2,3)12-10-8-6-5-7-9-10;1-10(2,3)11-9-7-5-4-6-8-9;1-8(9-2)6-4-3-5-7-8;1-7(8-2)5-3-4-6-7;1-5-6-7(2,3)8-4;1-5-6(2,3)7-4;1-5(2,3)6-4;5*1-2/h2,4-5,8-9H,3,6-7,10-11H2,1H3;2-4,7-8H,5-6,9-10H2,1H3;5-9H,4,10H2,1-3H3;5-9H,4H2,1-3H3;4-8H,1-3H3;3-7H2,1-2H3;3-6H2,1-2H3;5-6H2,1-4H3;5H2,1-4H3;1-4H3;5*1-2H3 |
| InChIKey | IBRMQIZBVHVYIU-UHFFFAOYSA-N |
| XLogP | 23.73 |
| TPSA | 92.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 111 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1638.95 |
| LogP ≤ 5 | 23.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|