1,7,7-Trimethyl-2-vinylbicyclo[2.2.1]hept-2-ene
PubChem CID: 576719
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| Compound Synonyms | 1,7,7-Trimethyl-2-vinylbicyclo[2.2.1]hept-2-ene, 130930-56-2, vinylbornene, DNDLHRMVKMCSOS-UHFFFAOYSA-N, DTXSID801016436, 2-ETHENYL-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPT-2-ENE |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C12H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DNDLHRMVKMCSOS-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -4.75 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.99 |
| Compound Name | 1,7,7-Trimethyl-2-vinylbicyclo[2.2.1]hept-2-ene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 162.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2245112 |
| Inchi | InChI=1S/C12H18/c1-5-9-8-10-6-7-12(9,4)11(10,2)3/h5,8,10H,1,6-7H2,2-4H3 |
| Smiles | CC1(C2CCC1(C(=C2)C=C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients