(3S,8aR)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,6,7,8-hexahydronaphthalene
PubChem CID: 14038482
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S,8aR)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,6,7,8-hexahydronaphthalene |
| Prediction Hob | 0.0 |
| Xlogp | 5.0 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MBANDXQCQFFUAJ-UKRRQHHQSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -5.27 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.11 |
| Compound Name | (3S,8aR)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,6,7,8-hexahydronaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1847134 |
| Inchi | InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11,13H,3,5-9H2,1-2,4H3/t13-,15-/m1/s1 |
| Smiles | CC(C)[C@@H]1CC[C@]2(CCCC(=C)C2=C1)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Klotzchiana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ligularia Stenocephala (Plant) Rel Props:Source_db:cmaup_ingredients