Bornylene, (-)-
PubChem CID: 11062489
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| Compound Synonyms | (-)-Bornene, Bornylene, (-)-, 2437-75-4, 2-Bornene, (-)-, (-)-(1S,4R)-Bornene, V51C631NCM, UNII-V51C631NCM, (1S,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ene, (1S,4R)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-ene, Bicyclo(2.2.1)hept-2-ene, 1,7,7-trimethyl-, (1S)-, Bicyclo(2.2.1)hept-2-ene, 1,7,7-trimethyl-, (1S,4R)-, (-)-bornylene, (1S,4R)-(-)-2-bornene, EN300-182840, Q27895992 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KUKRLSJNTMLPPK-WCBMZHEXSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.156 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.578 |
| Compound Name | Bornylene, (-)- |
| 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 | -2.9274755999999993 |
| Inchi | InChI=1S/C10H16/c1-9(2)8-4-6-10(9,3)7-5-8/h4,6,8H,5,7H2,1-3H3/t8-,10+/m0/s1 |
| Smiles | C[C@@]12CC[C@@H](C1(C)C)C=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eupatorium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eupatorium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients