alpha-Chamigrene
PubChem CID: 519725
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| Compound Synonyms | .alpha.-Chamigrene, Spiro[5.5]undeca-1,8-diene, 1,5,5,9-tetramethyl-, (R)-, Spiro[5.5]undeca-1,8-diene, 1,5,5,9-tetramethyl-, 18045-70-0, DTXSID70334122, SIBCECUUMHIAAM-UHFFFAOYSA-N, 1,5,5,9-Tetramethylspiro[5.5]undeca-1,8-diene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SIBCECUUMHIAAM-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -5.768 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.564 |
| Compound Name | alpha-Chamigrene |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9042133999999997 |
| Inchi | InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h6-7H,5,8-11H2,1-4H3 |
| Smiles | CC1=CCC2(CC1)C(=CCCC2(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients