(3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-4a-ol
PubChem CID: 12011812
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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 | 341.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-4a-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | PWKUFWSNBDVOCV-KFWWJZLASA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.199 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.319 |
| Compound Name | (3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-4a-ol |
| Prediction Hob Swissadme | 1.0 |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3893071999999997 |
| Inchi | InChI=1S/C15H24O/c1-11(2)13-7-9-14(4)8-5-6-12(3)15(14,16)10-13/h6,13,16H,1,5,7-10H2,2-4H3/t13-,14-,15+/m1/s1 |
| Smiles | CC1=CCC[C@]2([C@@]1(C[C@@H](CC2)C(=C)C)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients