(1aR,4aS,7R,7aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene
PubChem CID: 76325293
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| Compound Synonyms | CHEMBL3120649 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 265.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1aR,4aS,7R,7aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C15H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UIDUJXXQMGYOIN-KACYDTNGSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.241 |
| Rotatable Bond Count | 0.0 |
| Logd | 5.846 |
| Compound Name | (1aR,4aS,7R,7aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 206.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.597112599999999 |
| Inchi | InChI=1S/C15H26/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9-14H,5-8H2,1-4H3/t9?,10-,11+,12-,13-,14-/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CCC2C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients