[(6R,7R,8S)-1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]dec-3-enyl]methanol
PubChem CID: 44567115
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| Compound Synonyms | CHEMBL465430 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(6R,7R,8S)-1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]dec-3-enyl]methanol |
| Prediction Hob | 0.0 |
| Xlogp | 3.2 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | JIXPRNKLOIEGFI-JIPNABBHSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -3.638 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.058 |
| Compound Name | [(6R,7R,8S)-1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]dec-3-enyl]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 | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1028071999999995 |
| Inchi | InChI=1S/C15H24O/c1-9(2)11-6-7-15(3)12-5-4-10(8-16)14(15)13(11)12/h4,9,11-14,16H,5-8H2,1-3H3/t11-,12+,13+,14?,15?/m0/s1 |
| Smiles | CC(C)[C@@H]1CCC2([C@H]3[C@@H]1C2C(=CC3)CO)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Laggera Pterodonta (Plant) Rel Props:Source_db:cmaup_ingredients