2-Methyldecalin
PubChem CID: 94249
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| Compound Synonyms | 2-Methyldecalin, 2958-76-1, NAPHTHALENE,DECAHYDRO-2-METHYL-, Naphthalene, decahydro-2-methyl-, 2-Methyldecahydronaphthalene, 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene, Decahydro-2-methylnaphthalene, DTXSID20873314, 14398-71-1, 2Methyldecalin, trans-Decalin, 2-methyl-, 2-Methyldecahydronaphthalene #, 3-methylbicyclo[4.4.0]decane, DTXCID50820811, GREARFRXIFVLGB-UHFFFAOYSA-N, Naphthalene, decahydro-2-methyl-, (2alpha,4aalpha,8abeta)-, 2-METHYL-DECAHYDRONAPHTHALENE, AS-76698, NS00096217, D93419, Naphthalene,decahydro-2-methyl-(2.alpha.,4a.alpha.,8a.beta. |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C11H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GREARFRXIFVLGB-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.104 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.18 |
| Compound Name | 2-Methyldecalin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 152.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8522422 |
| Inchi | InChI=1S/C11H20/c1-9-6-7-10-4-2-3-5-11(10)8-9/h9-11H,2-8H2,1H3 |
| Smiles | CC1CCC2CCCCC2C1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients