[(1R,2R,6S,7R,10S)-2-(hydroxymethyl)-6,9-dimethyl-6-tricyclo[5.4.0.02,10]undec-8-enyl]methanol
PubChem CID: 163006654
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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 | 362.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(1R,2R,6S,7R,10S)-2-(hydroxymethyl)-6,9-dimethyl-6-tricyclo[5.4.0.02,10]undec-8-enyl]methanol |
| Prediction Hob | 0.0 |
| Xlogp | 1.9 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WVWAWZXCCMYZCF-JARUQAPTSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -1.952 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.531 |
| Compound Name | [(1R,2R,6S,7R,10S)-2-(hydroxymethyl)-6,9-dimethyl-6-tricyclo[5.4.0.02,10]undec-8-enyl]methanol |
| 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 | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.357801 |
| Inchi | InChI=1S/C15H24O2/c1-10-6-12-13-7-11(10)15(13,9-17)5-3-4-14(12,2)8-16/h6,11-13,16-17H,3-5,7-9H2,1-2H3/t11-,12+,13+,14+,15-/m0/s1 |
| Smiles | CC1=C[C@@H]2[C@H]3C[C@@H]1[C@]3(CCC[C@]2(C)CO)CO |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Nigra (Plant) Rel Props:Source_db:cmaup_ingredients