(+)-beta-Fenchene
PubChem CID: 12309841
Connections displayed (default: 10).
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| Compound Synonyms | 33404-67-0, (+)-beta-Fenchene, DTXSID401037315, (1R,4R)-2,2-Dimethyl-5-methylenebicyclo[2.2.1]heptane, [1r,4r,(+)]-2,2-Dimethyl-5-methylenebicyclo[2.2.1]heptane |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,4R)-2,2-dimethyl-5-methylidenebicyclo[2.2.1]heptane |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NJZUUYADLXBQPA-BDAKNGLRSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.327 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.976 |
| Compound Name | (+)-beta-Fenchene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6313756 |
| Inchi | InChI=1S/C10H16/c1-7-4-9-5-8(7)6-10(9,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1 |
| Smiles | CC1(C[C@H]2C[C@@H]1CC2=C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients