trans-4a-Methyl-decahydronaphthalene
PubChem CID: 137634
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| Compound Synonyms | trans-4a-Methyl-decahydronaphthalene, trans-9-Methyldecalin, cis-4a-Methyl-decahydronaphthalene, 9-methyldecalin, 2547-26-4, 4a-methyldecalin, ghl.PD_Mitscher_leg0.1253, cis-9-Methyldecalin, 4a-Methyldecahydronaphthalene #, cis-4a-methyldecahydronaphthalene, DTXSID90948361, RAFDCSMAXTUJKJ-UHFFFAOYSA-N, 1-Methyl-trans-bicyclo[4.4.0]decane, 2547-27-5, 1-METHYLBICYCLO(4.4.0)DECANE(CIS), 1-METHYLBICYCLO(4.4.0)DECANE(TRANS) |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C11H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RAFDCSMAXTUJKJ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.085 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.899 |
| Compound Name | trans-4a-Methyl-decahydronaphthalene |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9467421999999996 |
| Inchi | InChI=1S/C11H20/c1-11-8-4-2-6-10(11)7-3-5-9-11/h10H,2-9H2,1H3 |
| Smiles | CC12CCCCC1CCCC2 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thalictrum Ichangense (Plant) Rel Props:Source_db:cmaup_ingredients