Cedr-8(15)-ene
PubChem CID: 102432
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| Compound Synonyms | (+)-beta-Funebrene, (+)-beta-Cedrene, Cedr-8(15)-ene, (+)-?-CEDRENE, (-)cedrene, Cedr-8(15)-ene #, DTXSID20862162, DYLPEFGBWGEFBB-UHFFFAOYSA-N, AAA54628, AKOS040734764, NS00042833 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DYLPEFGBWGEFBB-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.413 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.355 |
| Compound Name | Cedr-8(15)-ene |
| 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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1625134 |
| Inchi | InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3 |
| Smiles | CC1CCC2C13CCC(=C)C(C3)C2(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients