(+)-Dauca-8,11-diene
PubChem CID: 21592365
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| Compound Synonyms | (+)-Dauca-8,11-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 | 297.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3S,3aS,8aR)-6,8a-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,8-hexahydro-1H-azulene |
| Prediction Hob | 0.0 |
| Xlogp | 5.1 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RLNLRKHTQIXWHM-ILXRZTDVSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -5.023 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.419 |
| Compound Name | (+)-Dauca-8,11-diene |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2666134 |
| Inchi | InChI=1S/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h7,13-14H,1,5-6,8-10H2,2-4H3/t13-,14+,15+/m1/s1 |
| Smiles | CC1=CC[C@]2(CC[C@@H]([C@@H]2CC1)C(=C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Rugosa (Plant) Rel Props:Source_db:cmaup_ingredients