4-Thujanol
PubChem CID: 6326181
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| Compound Synonyms | 4-Thujanol, 17699-16-0, EINECS 241-703-4, UNII-DS203S42BJ, (1R,2R,5S)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol, trans-Sabinene hydrate, 4-THUJANOL [FHFI], 4-THUJANOL, TRANS-, FEMA No. 3239, DS203S42BJ, (+/-)-TRANS-4-THUJANOL, TRANS-(+/-)-4-THUJANOL, (1alpha,2alpha,5alpha)-2-methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol, 2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol, (1alpha,2alpha,5alpha)-2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol, BICYCLO(3.1.0)HEXAN-2-OL, 2-METHYL-5-(1-METHYLETHYL)-, (1R,2R,5S)-REL-, BICYCLO(3.1.0)HEXAN-2-OL, 2-METHYL-5-(1-METHYLETHYL)-, (1.ALPHA.,2.ALPHA.,5.ALPHA.)-, 2-methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol, Sabinenehydrate, (2S,5R)-2-methyl-5-propan-2-ylbicyclo(3.1.0)hexan-2-ol, (2S,5R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol, (1R,2R,5S)-2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol, (1R,2R,5S)-2-Methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol, (1R,2R,5S)-2-methyl-5-propan-2-ylbicyclo(3.1.0)hexan-2-ol, trans-Sabinenhydrat, (E)-Sabinene hydrate, (+)-trans-4-Thujanol, trans-(-)-4-Thujanol, SCHEMBL113546, (+)-trans-Sabinene hydric acid, DTXSID40905045, KXSDPILWMGFJMM-AEJSXWLSSA-N, 546-79-2, Bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1alpha,2alpha,5alpha)-, NS00086028, Q27276574, rel-(1R,2R,5S)-5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 187.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2R,5S)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KXSDPILWMGFJMM-AEJSXWLSSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.991 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.106 |
| Compound Name | 4-Thujanol |
| 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 | -2.0659686 |
| Inchi | InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9+,10-/m0/s1 |
| Smiles | CC(C)[C@@]12CC[C@@]([C@@H]1C2)(C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients