(-)-trans-Myrtanol
PubChem CID: 104476
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| Compound Synonyms | (-)-trans-Myrtanol, 53369-17-8, (1S,2S,5S)-(-)-Myrtanol, 3LTR68G5X4, [(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol, Myrtanol, (1S,2S,5S)-(-)-, (1S-(1alpha,2alpha,5alpha))-6,6-Dimethylbicyclo(3.1.1)heptane-2-methanol, ((1S,2S,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)methanol, ((1S,2S,5S)-6,6-DIMETHYLBICYCLO(3.1.1)HEPTAN-2-YL)METHANOL, [(1S,2S,5S)-6,6-DIMETHYLBICYCLO[3.1.1]HEPTAN-2-YL]METHANOL, (-)-myrtanol, EINECS 258-499-8, MFCD00001348, (-)- trans-Myrtanol, UNII-3LTR68G5X4, SCHEMBL3651148, (6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methanol, [1S-(1.alpha.,2.alpha.,5.alpha.)]-, Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, [1S-(1.alpha.,2.alpha.,5.alpha.)]-, DTXSID501318073, (1s, 2s, 5s)-(-)-myrtanol, HY-N9495, AKOS040759347, XM161231, (1S,2S,5S)-(-)-Myrtanol, 97%, CS-0181932, NS00085255, ((1S,2S,5S)-6,6-dimethylbicyclo[3.1.1]-heptan-2-yl)methanol, (-)-trans-Myrtanol, purum, >=98.0% (sum of enantiomers, GC), BICYCLO(3.1.1)HEPTANE-2-METHANOL, 6,6-DIMETHYL-, (1S,2S,5S)- |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(1S,2S,5S)-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-VGMNWLOBSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.722 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.177 |
| Compound Name | (-)-trans-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/t7-,8+,9+/m1/s1 |
| Smiles | CC1([C@H]2CC[C@@H]([C@@H]1C2)CO)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients