6,6-Dimethyl-2-vinylidenebicyclo[3.1.1]heptane
PubChem CID: 569167
Connections displayed (default: 10).
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| Compound Synonyms | 6,6-Dimethyl-2-vinylidenebicyclo[3.1.1]heptane, 2-Ethenylidene-6,6-dimethylbicyclo[3.1.1]heptane, XSKNBZYMPUIQRV-UHFFFAOYSA-N, 2-Ethenylidene-6,6-dimethylbicyclo[3.1.1]heptane # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C11H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XSKNBZYMPUIQRV-UHFFFAOYSA-N |
| Fcsp3 | 0.7272727272727273 |
| Logs | -4.594 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.818 |
| Compound Name | 6,6-Dimethyl-2-vinylidenebicyclo[3.1.1]heptane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 148.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1279437999999993 |
| Inchi | InChI=1S/C11H16/c1-4-8-5-6-9-7-10(8)11(9,2)3/h9-10H,1,5-7H2,2-3H3 |
| Smiles | CC1(C2CCC(=C=C)C1C2)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients