C195H325N3O7S7 — CID 158443467
2-(2-methylpropyl)-3-propan-2-ylfuran;3-(2-methylpropyl)-2-propan-2-ylfuran;3-(2-methylpropyl)-4-propan-2-ylfuran;4-(2-methylpropyl)-5-propan-2-yl-2H-pyran;5-(2-methylpropyl)-4-propan-2-yl-2H-pyran;5-(2-methylpropyl)-6-propan-2-yl-2H-pyran;6-(2-methylpropyl)-5-propan-2-yl-2H-pyran;2-(2-methylpropyl)-3-propan-2-yl-1H-pyrrole;3-(2-methylpropyl)-2-propan-2-yl-1H-pyrrole;3-(2-methylpropyl)-4-propan-2-yl-1H-pyrrole;2-(2-methylpropyl)-3-propan-2-ylthiophene;3-(2-methylpropyl)-2-propan-2-ylthiophene;3-(2-methylpropyl)-4-propan-2-ylthiophene;3-(2-methylpropyl)-4-propan-2-yl-2H-thiopyran;4-(2-methylpropyl)-3-propan-2-yl-2H-thiopyran;5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran;6-(2-methylpropyl)-5-propan-2-yl-2H-thiopyran (PubChem CID 158443467) has the molecular formula C195H325N3O7S7 and a molecular weight of 3048.23 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-propan-2-ylfuran;3-(2-methylpropyl)-2-propan-2-ylfuran;3-(2-methylpropyl)-4-propan-2-ylfuran;4-(2-methylpropyl)-5-propan-2-yl-2H-pyran;5-(2-methylpropyl)-4-propan-2-yl-2H-pyran;5-(2-methylpropyl)-6-propan-2-yl-2H-pyran;6-(2-methylpropyl)-5-propan-2-yl-2H-pyran;2-(2-methylpropyl)-3-propan-2-yl-1H-pyrrole;3-(2-methylpropyl)-2-propan-2-yl-1H-pyrrole;3-(2-methylpropyl)-4-propan-2-yl-1H-pyrrole;2-(2-methylpropyl)-3-propan-2-ylthiophene;3-(2-methylpropyl)-2-propan-2-ylthiophene;3-(2-methylpropyl)-4-propan-2-ylthiophene;3-(2-methylpropyl)-4-propan-2-yl-2H-thiopyran;4-(2-methylpropyl)-3-propan-2-yl-2H-thiopyran;5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran;6-(2-methylpropyl)-5-propan-2-yl-2H-thiopyran.
| Compound Name | 2-(2-methylpropyl)-3-propan-2-ylfuran;3-(2-methylpropyl)-2-propan-2-ylfuran;3-(2-methylpropyl)-4-propan-2-ylfuran;4-(2-methylpropyl)-5-propan-2-yl-2H-pyran;5-(2-methylpropyl)-4-propan-2-yl-2H-pyran;5-(2-methylpropyl)-6-propan-2-yl-2H-pyran;6-(2-methylpropyl)-5-propan-2-yl-2H-pyran;2-(2-methylpropyl)-3-propan-2-yl-1H-pyrrole;3-(2-methylpropyl)-2-propan-2-yl-1H-pyrrole;3-(2-methylpropyl)-4-propan-2-yl-1H-pyrrole;2-(2-methylpropyl)-3-propan-2-ylthiophene;3-(2-methylpropyl)-2-propan-2-ylthiophene;3-(2-methylpropyl)-4-propan-2-ylthiophene;3-(2-methylpropyl)-4-propan-2-yl-2H-thiopyran;4-(2-methylpropyl)-3-propan-2-yl-2H-thiopyran;5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran;6-(2-methylpropyl)-5-propan-2-yl-2H-thiopyran |
|---|---|
| PubChem CID | 158443467 |
| Molecular Formula | C195H325N3O7S7 |
| Molecular Weight | 3048.23 g/mol |
| Exact Mass | 3045.32 |
| IUPAC Name | 2-(2-methylpropyl)-3-propan-2-ylfuran;3-(2-methylpropyl)-2-propan-2-ylfuran;3-(2-methylpropyl)-4-propan-2-ylfuran;4-(2-methylpropyl)-5-propan-2-yl-2H-pyran;5-(2-methylpropyl)-4-propan-2-yl-2H-pyran;5-(2-methylpropyl)-6-propan-2-yl-2H-pyran;6-(2-methylpropyl)-5-propan-2-yl-2H-pyran;2-(2-methylpropyl)-3-propan-2-yl-1H-pyrrole;3-(2-methylpropyl)-2-propan-2-yl-1H-pyrrole;3-(2-methylpropyl)-4-propan-2-yl-1H-pyrrole;2-(2-methylpropyl)-3-propan-2-ylthiophene;3-(2-methylpropyl)-2-propan-2-ylthiophene;3-(2-methylpropyl)-4-propan-2-ylthiophene;3-(2-methylpropyl)-4-propan-2-yl-2H-thiopyran;4-(2-methylpropyl)-3-propan-2-yl-2H-thiopyran;5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran;6-(2-methylpropyl)-5-propan-2-yl-2H-thiopyran |
| SMILES | CC(C)CC1=C(C(C)C)C=CCO1.CC(C)CC1=C(C(C)C)C=CCS1.CC(C)CC1=C(C(C)C)C=CSC1.CC(C)CC1=C(C(C)C)CSC=C1.CC(C)CC1=C(C(C)C)OCC=C1.CC(C)CC1=C(C(C)C)SCC=C1.CC(C)CC1=CCOC=C1C(C)C.CC(C)CC1=COCC=C1C(C)C.CC(C)Cc1[nH]ccc1C(C)C.CC(C)Cc1c[nH]cc1C(C)C.CC(C)Cc1cc[nH]c1C(C)C.CC(C)Cc1ccoc1C(C)C.CC(C)Cc1ccsc1C(C)C.CC(C)Cc1cocc1C(C)C.CC(C)Cc1cscc1C(C)C.CC(C)Cc1occc1C(C)C.CC(C)Cc1sccc1C(C)C |
| InChI | InChI=1S/4C12H20O.4C12H20S.3C11H19N.3C11H18O.3C11H18S/c1-9(2)7-11-8-13-6-5-12(11)10(3)4;1-9(2)7-11-5-6-13-8-12(11)10(3)4;1-9(2)8-12-11(10(3)4)6-5-7-13-12;1-9(2)8-11-6-5-7-13-12(11)10(3)4;1-9(2)7-11-8-13-6-5-12(11)10(3)4;1-9(2)7-11-5-6-13-8-12(11)10(3)4;1-9(2)8-12-11(10(3)4)6-5-7-13-12;1-9(2)8-11-6-5-7-13-12(11)10(3)4;1-8(2)5-10-6-12-7-11(10)9(3)4;1-8(2)7-11-10(9(3)4)5-6-12-11;1-8(2)7-10-5-6-12-11(10)9(3)4;1-8(2)5-10-6-12-7-11(10)9(3)4;1-8(2)7-11-10(9(3)4)5-6-12-11;1-8(2)7-10-5-6-12-11(10)9(3)4;1-8(2)5-10-6-12-7-11(10)9(3)4;1-8(2)7-11-10(9(3)4)5-6-12-11;1-8(2)7-10-5-6-12-11(10)9(3)4/h2*5,8-10H,6-7H2,1-4H3;6*5-6,9-10H,7-8H2,1-4H3;6-9,12H,5H2,1-4H3;2*5-6,8-9,12H,7H2,1-4H3;6-9H,5H2,1-4H3;2*5-6,8-9H,7H2,1-4H3;6-9H,5H2,1-4H3;2*5-6,8-9H,7H2,1-4H3 |
| InChIKey | HDCHEULXPRVGBW-UHFFFAOYSA-N |
| XLogP | 64.12 |
| TPSA | 123.71 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 212 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3048.23 |
| LogP ≤ 5 | 64.12 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 14 |