Verbenol, (S)-trans-
PubChem CID: 88298
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| Compound Synonyms | 19890-02-9, Verbenol, (S)-trans-, (1S,2R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol, (S)-trans-verbenol, R7N6NH1O0K, [1S-(1alpha,2alpha,5alpha)]-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol, EINECS 243-407-0, (-)-trans-Verbenol, Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, (1S,2R,5S)-, (1S)-TRANS-VERBENOL, AI3-23135, DTXSID10885103, (S)-(-)-TRANS-VERBENOL, Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1S,2R,5S)-, (1S)-(+)-Cis-verbenol, (1S,4R,5S)-(-)-TRANS-VERBENOL, 2-PINEN-4-OL, (1S,4R,5S)-(-)-, Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, trans-(-)-, Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, (1.alpha.,2.alpha.,5.alpha.)-, BICYCLO(3.1.1)HEPT-3-EN-2-OL, 4,6,6-TRIMETHYL-, (1S-(1.ALPHA.,2.ALPHA.,5.ALPHA.))-, (1alpha,2alpha,5alpha)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol, 2-Pinen-4-ol, trans-, 1820-09-3, UNII-R7N6NH1O0K, (1S-(1alpha,2alpha,5alpha))-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol, SCHEMBL19951524, DTXCID301024505, AKOS006272684, NS00067072, NS00126390, 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol #, Q27287910, Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1alpha,2alpha,5alpha)-, BICYCLO(3.1.1)HEPT-3-EN-2-OL, 4,6,6-TRIMETHYL-, (1S-(1ALPHA,2ALPHA,5ALPHA))- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,2R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WONIGEXYPVIKFS-DJLDLDEBSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.794 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.942 |
| Compound Name | Verbenol, (S)-trans- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7746694 |
| Inchi | InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m0/s1 |
| Smiles | CC1=C[C@H]([C@H]2C[C@@H]1C2(C)C)O |
| Nring | 3.0 |
| 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 Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cornus Officinalis (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 Verbena Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Verbena Stricta (Plant) Rel Props:Source_db:cmaup_ingredients