Myrtanol
PubChem CID: 521314
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| Compound Synonyms | Myrtanol, 514-99-8, (6,6-dimethylbicyclo[3.1.1]heptan-2-yl)methanol, 6,6-dimethylbicyclo[3.1.1]heptane-2-methanol, 7F5M346MU6, EINECS 208-191-4, 6,6-Dimethylbicyclo(3.1.1)heptane-2-methanol, (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol, UNII-7F5M346MU6, {6,6-dimethylbicyclo[3.1.1]heptan-2-yl}methanol, cis-Myrtanol, 10-pinanol, DIHYDROMYRTENOL, (6,6-dimethyl-2-bicyclo(3.1.1)heptanyl)methanol, SCHEMBL596246, DTXSID40862088, Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, [1S-(1.alpha.,2.beta.,5.alpha.)]-, AKOS024319174, DB-071671, CS-0090723, NS00043570, (6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methanol #, Q67880196 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LDWAIHWGMRVEFR-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.121 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.751 |
| Compound Name | Myrtanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8786686000000006 |
| Inchi | InChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3 |
| Smiles | CC1(C2CCC(C1C2)CO)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Bupleurum Smithii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all