C197H400O22 — CID 161460156
2,2-dimethyl-1-propan-2-yloxypropane;(2S)-2-(2,2-dimethylpropoxy)-3-methylbutane;2-ethoxypropane;(2S)-2-methoxybutane;[(1S)-1-methoxyethyl]cyclohexane;[(1S)-1-methoxyethyl]cyclopentane;(2S)-2-methoxy-3-methylbutane;2-methoxy-2-methylpropane;(2S)-2-methoxypentane;2-methoxypropane;1-[(2S)-3-methylbutan-2-yl]oxyadamantane;2-[(2S)-3-methylbutan-2-yl]oxyadamantane;2-[(2S)-3-methylbutan-2-yl]oxybicyclo[2.2.1]heptane;[(2S)-3-methylbutan-2-yl]oxycyclohexane;[(2S)-3-methylbutan-2-yl]oxycyclopentane;4-[(2S)-3-methylbutan-2-yl]oxytetracyclo[6.2.1.13,6.02,7]dodecane;8-[(2S)-3-methylbutan-2-yl]oxytricyclo[5.2.1.02,6]decane;(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;(3S)-2-methyl-3-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane (PubChem CID 161460156) has the molecular formula C197H400O22 and a molecular weight of 3121.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-propan-2-yloxypropane;(2S)-2-(2,2-dimethylpropoxy)-3-methylbutane;2-ethoxypropane;(2S)-2-methoxybutane;[(1S)-1-methoxyethyl]cyclohexane;[(1S)-1-methoxyethyl]cyclopentane;(2S)-2-methoxy-3-methylbutane;2-methoxy-2-methylpropane;(2S)-2-methoxypentane;2-methoxypropane;1-[(2S)-3-methylbutan-2-yl]oxyadamantane;2-[(2S)-3-methylbutan-2-yl]oxyadamantane;2-[(2S)-3-methylbutan-2-yl]oxybicyclo[2.2.1]heptane;[(2S)-3-methylbutan-2-yl]oxycyclohexane;[(2S)-3-methylbutan-2-yl]oxycyclopentane;4-[(2S)-3-methylbutan-2-yl]oxytetracyclo[6.2.1.13,6.02,7]dodecane;8-[(2S)-3-methylbutan-2-yl]oxytricyclo[5.2.1.02,6]decane;(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;(3S)-2-methyl-3-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane.
| Compound Name | 2,2-dimethyl-1-propan-2-yloxypropane;(2S)-2-(2,2-dimethylpropoxy)-3-methylbutane;2-ethoxypropane;(2S)-2-methoxybutane;[(1S)-1-methoxyethyl]cyclohexane;[(1S)-1-methoxyethyl]cyclopentane;(2S)-2-methoxy-3-methylbutane;2-methoxy-2-methylpropane;(2S)-2-methoxypentane;2-methoxypropane;1-[(2S)-3-methylbutan-2-yl]oxyadamantane;2-[(2S)-3-methylbutan-2-yl]oxyadamantane;2-[(2S)-3-methylbutan-2-yl]oxybicyclo[2.2.1]heptane;[(2S)-3-methylbutan-2-yl]oxycyclohexane;[(2S)-3-methylbutan-2-yl]oxycyclopentane;4-[(2S)-3-methylbutan-2-yl]oxytetracyclo[6.2.1.13,6.02,7]dodecane;8-[(2S)-3-methylbutan-2-yl]oxytricyclo[5.2.1.02,6]decane;(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;(3S)-2-methyl-3-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane |
|---|---|
| PubChem CID | 161460156 |
| Molecular Formula | C197H400O22 |
| Molecular Weight | 3121.34 g/mol |
| Exact Mass | 3119.02 |
| IUPAC Name | 2,2-dimethyl-1-propan-2-yloxypropane;(2S)-2-(2,2-dimethylpropoxy)-3-methylbutane;2-ethoxypropane;(2S)-2-methoxybutane;[(1S)-1-methoxyethyl]cyclohexane;[(1S)-1-methoxyethyl]cyclopentane;(2S)-2-methoxy-3-methylbutane;2-methoxy-2-methylpropane;(2S)-2-methoxypentane;2-methoxypropane;1-[(2S)-3-methylbutan-2-yl]oxyadamantane;2-[(2S)-3-methylbutan-2-yl]oxyadamantane;2-[(2S)-3-methylbutan-2-yl]oxybicyclo[2.2.1]heptane;[(2S)-3-methylbutan-2-yl]oxycyclohexane;[(2S)-3-methylbutan-2-yl]oxycyclopentane;4-[(2S)-3-methylbutan-2-yl]oxytetracyclo[6.2.1.13,6.02,7]dodecane;8-[(2S)-3-methylbutan-2-yl]oxytricyclo[5.2.1.02,6]decane;(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxy]butane;(3S)-2-methyl-3-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane |
| SMILES | CC(C)OC(C)(C)C.CC(C)OC(C)C.CC(C)OCC(C)(C)C.CC(C)O[C@@H](C)C(C)C.CC(C)[C@H](C)OC(C)(C)C.CC(C)[C@H](C)OC12CC3CC(CC(C3)C1)C2.CC(C)[C@H](C)OC1C2CC3CC(C2)CC1C3.CC(C)[C@H](C)OC1CC2CC1C1C3CCC(C3)C21.CC(C)[C@H](C)OC1CC2CC1C1CCCC21.CC(C)[C@H](C)OC1CC2CCC1C2.CC(C)[C@H](C)OC1CCCC1.CC(C)[C@H](C)OC1CCCCC1.CC(C)[C@H](C)OCC(C)(C)C.CCCOC(C)C.CCC[C@H](C)OC.CCOC(C)C.CC[C@H](C)OC.COC(C)(C)C.COC(C)C.CO[C@@H](C)C(C)C.CO[C@@H](C)C1CCCC1.CO[C@@H](C)C1CCCCC1 |
| InChI | InChI=1S/C17H28O.3C15H26O.C12H22O.C11H22O.C10H20O.C10H22O.C9H18O.C9H20O.C8H16O.2C8H18O.C7H16O.4C6H14O.3C5H12O.C4H10O/c1-9(2)10(3)18-15-8-13-7-14(15)17-12-5-4-11(6-12)16(13)17;1-10(2)11(3)16-15-7-12-4-13(8-15)6-14(5-12)9-15;1-9(2)10(3)16-15-13-5-11-4-12(7-13)8-14(15)6-11;1-9(2)10(3)16-15-8-11-7-14(15)13-6-4-5-12(11)13;1-8(2)9(3)13-12-7-10-4-5-11(12)6-10;1-9(2)10(3)12-11-7-5-4-6-8-11;1-8(2)9(3)11-10-6-4-5-7-10;1-8(2)9(3)11-7-10(4,5)6;1-8(10-2)9-6-4-3-5-7-9;1-7(2)8(3)10-9(4,5)6;1-7(9-2)8-5-3-4-6-8;1-7(2)9-6-8(3,4)5;1-6(2)8(5)9-7(3)4;1-6(2)8-7(3,4)5;1-5(2)6(3)7-4;1-5(2)7-6(3)4;1-4-5-6(2)7-3;1-4-5-7-6(2)3;1-5(2,3)6-4;1-4-5(2)6-3;1-4-6-5(2)3;1-4(2)5-3/h9-17H,4-8H2,1-3H3;10-14H,4-9H2,1-3H3;2*9-15H,4-8H2,1-3H3;8-12H,4-7H2,1-3H3;9-11H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,7H2,1-6H3;8-9H,3-7H2,1-2H3;7-8H,1-6H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;6-8H,1-5H3;6H,1-5H3;2*5-6H,1-4H3;2*6H,4-5H2,1-3H3;1-4H3;2*5H,4H2,1-3H3;4H,1-3H3/t10-,11?,12?,13?,14?,15?,16?,17?;11-,12?,13?,14?,15?;2*10-,11?,12?,13?,14?,15?;9-,10?,11?,12?;10-;2*9-;2*8-;7-;;8-;;6-;;6-;;;5-;;/m00000000000.0.0.0..0../s1 |
| InChIKey | WBRPTNOQEHMWSF-SADQBAMWSA-N |
| XLogP | 55.84 |
| TPSA | 203.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 219 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3121.34 |
| LogP ≤ 5 | 55.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'} |
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