Selina-3,7-diene
PubChem CID: 6429221
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| Compound Synonyms | selina-3,7-diene, SWCOCRTVQQHGKB-YSSOQSIOSA-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 | 306.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8aR)-4,8a-dimethyl-6-propan-2-yl-2,4a,5,8-tetrahydro-1H-naphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SWCOCRTVQQHGKB-YSSOQSIOSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -5.429 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.5 |
| Compound Name | Selina-3,7-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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6303134 |
| Inchi | InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6-7,11,14H,5,8-10H2,1-4H3/t14?,15-/m1/s1 |
| Smiles | CC1=CCC[C@]2(C1CC(=CC2)C(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all