11-Methylene-tricyclo[5.3.1.1(2,6)]dodecane
PubChem CID: 556729
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| Compound Synonyms | 11-Methylene-tricyclo[5.3.1.1(2,6)]dodecane, PXWLGDFWHKBCAO-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 208.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-methylidenetricyclo[5.3.1.12,6]dodecane |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C13H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PXWLGDFWHKBCAO-UHFFFAOYSA-N |
| Fcsp3 | 0.8461538461538461 |
| Logs | -5.576 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.925 |
| Compound Name | 11-Methylene-tricyclo[5.3.1.1(2,6)]dodecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 176.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 176.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7239785999999993 |
| Inchi | InChI=1S/C13H20/c1-9-12-6-3-7-13(9)11-5-2-4-10(12)8-11/h10-13H,1-8H2 |
| Smiles | C=C1C2CCCC1C3CCCC2C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients