(1R,2E,4R,5R,6E,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene-4,5-diol
PubChem CID: 163000485
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 365.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,2E,4R,5R,6E,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene-4,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HMLUAIQJVMUHKN-OOLBJWLVSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.39 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.467 |
| Compound Name | (1R,2E,4R,5R,6E,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene-4,5-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.515001 |
| Inchi | InChI=1S/C15H24O2/c1-9-5-6-11-12(15(11,3)4)8-10(2)14(17)13(16)7-9/h7-8,11-14,16-17H,5-6H2,1-4H3/b9-7+,10-8+/t11-,12+,13+,14+/m0/s1 |
| Smiles | C/C/1=C\[C@H]([C@@H](/C(=C/[C@@H]2[C@@H](C2(C)C)CC1)/C)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients