(1R,2S,5S)-2,6,6-Trimethyl-1-(prop-1-en-2-yl)-2-vinylbicyclo[3.2.0]heptane
PubChem CID: 73797126
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| Compound Synonyms | Panaxene, UAOBSVDFJSNTLJ-UHFFFAOYSA-N, (1R,2S,5S)-2,6,6-Trimethyl-1-(prop-1-en-2-yl)-2-vinylbicyclo[3.2.0]heptane, Bicyclo[3.2.0]heptane, 2-ethenyl-2,6,6-trimethyl-1-(1-methylethenyl)-, (1R,2S,5S)- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UAOBSVDFJSNTLJ-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -6.128 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.919 |
| Compound Name | (1R,2S,5S)-2,6,6-Trimethyl-1-(prop-1-en-2-yl)-2-vinylbicyclo[3.2.0]heptane |
| 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 | -4.6416134 |
| Inchi | InChI=1S/C15H24/c1-7-14(6)9-8-12-13(4,5)10-15(12,14)11(2)3/h7,12H,1-2,8-10H2,3-6H3 |
| Smiles | CC(=C)C12CC(C1CCC2(C)C=C)(C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients