Cis-4-thujanol
PubChem CID: 12315152
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| Compound Synonyms | cis-Sabinenhydrate, Sabinene hydrate, cis, cis-4-thujanol, cis-Thujane-4-ol, cis-Sabinene hydrate (cis for IP vs Me), Sabinene hydrate trans (trans for IP vs. OH), trans-Sabinene hydrate (trans for IP vs. OH), (1R,2S,5S)-5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol, 5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol-, (1.alpha.,2.beta.,5.alpha.)-, (1R,2S,5S)-5-Isopropyl-2-methylbicyclo(3.1.0)hexan-2-ol, Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-, SCHEMBL19361162, (1.alpha.,2.beta.,5.alpha.)-2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol, BICYCLO(3.1.0)HEXAN-2-OL, 2-METHYL-5-(1-METHYLETHYL)-, (1.ALPHA.,2.BETA.,5.ALPHA.)-, 5-Isopropyl-2-methylbicyclo(3.1.0)hexan-2-ol-, (1alpha,2beta,5alpha)-, Bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1alpha,2beta,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 | 187.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,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-AGROOBSYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.221 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.138 |
| Compound Name | Cis-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@](C1C2)(C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients