(2R,8R,8aS)-2-(3-hydroxyprop-1-en-2-yl)-8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-ol
PubChem CID: 162918082
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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 | 358.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R,8R,8aS)-2-(3-hydroxyprop-1-en-2-yl)-8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HUNMNXDXOYNQBX-BYCMXARLSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.384 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.552 |
| Compound Name | (2R,8R,8aS)-2-(3-hydroxyprop-1-en-2-yl)-8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-ol |
| Prediction Hob Swissadme | 1.0 |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1201009999999996 |
| Inchi | InChI=1S/C15H24O2/c1-11-5-4-6-13-7-8-15(17,12(2)9-16)10-14(11,13)3/h6,11,16-17H,2,4-5,7-10H2,1,3H3/t11-,14+,15-/m1/s1 |
| Smiles | C[C@@H]1CCC=C2[C@]1(C[C@](CC2)(C(=C)CO)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pedicularis Striata (Plant) Rel Props:Source_db:cmaup_ingredients