African-5-ene
PubChem CID: 91750055
Connections displayed (default: 10).
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| Compound Synonyms | African-5-ene, FCQGZOYPTSMOOM-OGOZRWHJSA-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 | 323.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1aR,7bR)-3,3,5,7b-tetramethyl-1a,2,5,6,7,7a-hexahydro-1H-cyclopropa[e]azulene |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FCQGZOYPTSMOOM-OGOZRWHJSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -6.302 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.862 |
| Compound Name | African-5-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 | -4.137313399999999 |
| Inchi | InChI=1S/C15H24/c1-10-5-6-13-12(10)9-14(2,3)7-11-8-15(11,13)4/h9-11,13H,5-8H2,1-4H3/t10?,11-,13?,15+/m0/s1 |
| Smiles | CC1CCC2C1=CC(C[C@@H]3[C@]2(C3)C)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Arnebia Guttata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lithospermum Erythrorhizon (Plant) Rel Props:Source_db:cmaup_ingredients