(1R,3aS,8aS)-1,4,4,6-Tetramethyl-1,2,3,3a,4,5,7,8-octahydrocyclopenta[c]pentalene
PubChem CID: 73797127
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| Compound Synonyms | Panaginsene, ZRXJARPSARBQCO-UHFFFAOYSA-N, (1R,3aS,8aS)-1,4,4,6-Tetramethyl-1,2,3,3a,4,5,7,8-octahydrocyclopenta[c]pentalene, Cyclopenta[c]pentalene, 1,2,3,3a,4,5,7,8-octahydro-1,4,4,6-tetramethyl-, (1R,3aS,8aS)- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-4-ene |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZRXJARPSARBQCO-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.131 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.294 |
| Compound Name | (1R,3aS,8aS)-1,4,4,6-Tetramethyl-1,2,3,3a,4,5,7,8-octahydrocyclopenta[c]pentalene |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.828613399999999 |
| Inchi | InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-13(15)14(3,4)9-12(10)15/h11,13H,5-9H2,1-4H3 |
| Smiles | CC1CCC2C13CCC(=C3CC2(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients