C99H178 — CID 162259179
3-methylbicyclo[3.3.2]decane;(3R)-3-methylbicyclo[4.2.2]decane;(3R)-3-methylbicyclo[4.3.3]dodecane;3-methylbicyclo[3.1.1]heptane;(2R)-2-methylbicyclo[2.1.1]hexane;(3R)-3-methylbicyclo[4.2.1]nonane;(3R)-3-methylbicyclo[4.1.1]octane;2-methylbicyclo[1.1.1]pentane;3-methylbicyclo[3.3.3]undecane;(3R)-3-methylbicyclo[4.3.2]undecane (PubChem CID 162259179) has the molecular formula C99H178 and a molecular weight of 1368.51 g/mol. Its IUPAC name is 3-methylbicyclo[3.3.2]decane;(3R)-3-methylbicyclo[4.2.2]decane;(3R)-3-methylbicyclo[4.3.3]dodecane;3-methylbicyclo[3.1.1]heptane;(2R)-2-methylbicyclo[2.1.1]hexane;(3R)-3-methylbicyclo[4.2.1]nonane;(3R)-3-methylbicyclo[4.1.1]octane;2-methylbicyclo[1.1.1]pentane;3-methylbicyclo[3.3.3]undecane;(3R)-3-methylbicyclo[4.3.2]undecane.
| Compound Name | 3-methylbicyclo[3.3.2]decane;(3R)-3-methylbicyclo[4.2.2]decane;(3R)-3-methylbicyclo[4.3.3]dodecane;3-methylbicyclo[3.1.1]heptane;(2R)-2-methylbicyclo[2.1.1]hexane;(3R)-3-methylbicyclo[4.2.1]nonane;(3R)-3-methylbicyclo[4.1.1]octane;2-methylbicyclo[1.1.1]pentane;3-methylbicyclo[3.3.3]undecane;(3R)-3-methylbicyclo[4.3.2]undecane |
|---|---|
| PubChem CID | 162259179 |
| Molecular Formula | C99H178 |
| Molecular Weight | 1368.51 g/mol |
| Exact Mass | 1367.39 |
| IUPAC Name | 3-methylbicyclo[3.3.2]decane;(3R)-3-methylbicyclo[4.2.2]decane;(3R)-3-methylbicyclo[4.3.3]dodecane;3-methylbicyclo[3.1.1]heptane;(2R)-2-methylbicyclo[2.1.1]hexane;(3R)-3-methylbicyclo[4.2.1]nonane;(3R)-3-methylbicyclo[4.1.1]octane;2-methylbicyclo[1.1.1]pentane;3-methylbicyclo[3.3.3]undecane;(3R)-3-methylbicyclo[4.3.2]undecane |
| SMILES | CC1C2CC1C2.CC1CC2CC(C1)C2.CC1CC2CCCC(CC2)C1.CC1CC2CCCC(CCC2)C1.C[C@@H]1CC2CC1C2.C[C@@H]1CCC2CC(C2)C1.C[C@@H]1CCC2CCC(C2)C1.C[C@@H]1CCC2CCC(CC2)C1.C[C@@H]1CCC2CCCC(CC2)C1.C[C@@H]1CCC2CCCC(CCC2)C1 |
| InChI | InChI=1S/C13H24.2C12H22.2C11H20.C10H18.C9H16.C8H14.C7H12.C6H10/c1-11-8-9-12-4-2-6-13(10-11)7-3-5-12;1-10-8-11-4-2-5-12(9-10)7-3-6-11;1-10-5-6-11-3-2-4-12(9-10)8-7-11;1-9-2-3-10-4-6-11(8-9)7-5-10;1-9-7-10-3-2-4-11(8-9)6-5-10;1-8-2-3-9-4-5-10(6-8)7-9;1-7-2-3-8-5-9(4-7)6-8;1-6-2-7-4-8(3-6)5-7;1-5-2-6-3-7(5)4-6;1-4-5-2-6(4)3-5/h11-13H,2-10H2,1H3;2*10-12H,2-9H2,1H3;2*9-11H,2-8H2,1H3;8-10H,2-7H2,1H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3;5-7H,2-4H2,1H3;4-6H,2-3H2,1H3/t11-,12?,13?;;10-,11?,12?;9-,10?,11?;;8-,9?,10?;7-,8?,9?;;5-,6?,7?;/m1.11.11.1./s1 |
| InChIKey | ZYZRJTYUSLSYOA-BNCCSMLESA-N |
| XLogP | 31.84 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | |
| Heavy Atoms | 99 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1368.51 |
| LogP ≤ 5 | 31.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |