Di-epi-alpha-cedrene-(I)
PubChem CID: 576610
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| Compound Synonyms | Cedr-9-ene #, Di-epi-.alpha.-cedrene-(I), KANBSDYNZJCGLT-UHFFFAOYSA-N |
|---|---|
| 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 | 2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-9-ene |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KANBSDYNZJCGLT-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.639 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.642 |
| Compound Name | Di-epi-alpha-cedrene-(I) |
| 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 | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3704133999999994 |
| Inchi | InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7-8,10-13H,5-6,9H2,1-4H3 |
| Smiles | CC1CCC2C13CC(C2(C)C)C(C=C3)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients