(2S)-2-[(1S,2S,3R,4S,6R,7R,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propan-1-ol
PubChem CID: 163024744
Connections displayed (default: 10).
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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 | 351.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (2S)-2-[(1S,2S,3R,4S,6R,7R,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propan-1-ol |
| Prediction Hob | 0.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | TUWGUUUUJAXUPF-AMTOUNBVSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.43 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.202 |
| Compound Name | (2S)-2-[(1S,2S,3R,4S,6R,7R,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propan-1-ol |
| 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 | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3737071999999997 |
| Inchi | InChI=1S/C15H24O/c1-8(7-16)9-4-5-14(2)10-6-11-13(12(9)10)15(11,14)3/h8-13,16H,4-7H2,1-3H3/t8-,9-,10-,11+,12-,13+,14+,15+/m1/s1 |
| Smiles | C[C@H](CO)[C@H]1CC[C@]2([C@H]3[C@@H]1[C@H]4[C@@]2([C@H]4C3)C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Araucaria Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cussonia Bancoensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Nicotiana Rustica (Plant) Rel Props:Source_db:cmaup_ingredients