[(8R,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol
PubChem CID: 163098595
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [(8R,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol |
| Prediction Hob | 0.0 |
| Xlogp | 2.6 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | PSCGCYQLAZATGE-HIFRSBDPSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -6.521 |
| Rotatable Bond Count | 2.0 |
| Logd | 5.759 |
| Compound Name | [(8R,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6807071999999996 |
| Inchi | InChI=1S/C15H24O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h8,10,13,15-16H,4-7,9H2,1-3H3/t13-,15+/m1/s1 |
| Smiles | CC1=C2CCC(=C[C@H]2[C@H](CC1)C(C)C)CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Oxycedrus (Plant) Rel Props:Source_db:cmaup_ingredients