(1S,2R,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-2,3-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID: 11390779
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| Compound Synonyms | CHEMBL511362 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2R,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-2,3-dimethylbicyclo[2.2.1]heptan-2-ol |
| Prediction Hob | 0.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DZAZSBAAFSSMAB-RNCHGQBNSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -3.39 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.619 |
| Compound Name | (1S,2R,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-2,3-dimethylbicyclo[2.2.1]heptan-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.8368002 |
| Inchi | InChI=1S/C15H26O2/c1-11(10-16)5-4-8-14(2)12-6-7-13(9-12)15(14,3)17/h5,12-13,16-17H,4,6-10H2,1-3H3/b11-5-/t12-,13+,14+,15-/m1/s1 |
| Smiles | C/C(=C/CC[C@]1([C@@H]2CC[C@@H](C2)[C@@]1(C)O)C)/CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all