trans-Pinan-2-ol
PubChem CID: 220076
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| Compound Synonyms | trans-Pinan-2-ol, trans-2-Pinanol, (E)-Pinene hydrate, 2-Pinanol, trans-, Bicyclo(3.1.1)heptan-2-ol, 2,6,6-trimethyl-, (1.alpha.,2.beta.,5.alpha.)-, (E)-Pinan-2-ol, NSC2326, NSC 2326, (Z)-2-pinanol, 2,6,6-Trimethylbicyclo[3.1.1]heptan-2-ol-, (1R,2R,5S)-rel-, 2,6,6-Trimethylbicyclo(3.1.1)heptan-2-ol, (1.alpha.,2.beta.,5.alpha.)-, YYWZKGZIIKPPJZ-KTOWXAHTSA-N, Q67880138 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YYWZKGZIIKPPJZ-KTOWXAHTSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.998 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.345 |
| Compound Name | trans-Pinan-2-ol |
| 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 | -2.1319686 |
| Inchi | InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8?,10-/m0/s1 |
| Smiles | C[C@@]1(CCC2CC1C2(C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients