2-Pinanol
PubChem CID: 10128
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| Compound Synonyms | 2-PINANOL, 473-54-1, Pinanol, PINANOL 85, 2,6,6-Trimethylbicyclo[3.1.1]heptan-2-ol, trans-2-Pinanol, HSDB 5663, EINECS 207-466-6, 2-Pinanol, trans-, Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl-, UNII-5DZK63N3UU, 5DZK63N3UU, DTXSID5029180, Pinan-2beta-ol, Bicyclo(3.1.1)heptan-2-ol, 2,6,6-trimethyl-, NSC 2326, 2,6,6-trimethylbicyclo[3.1.1]heptane-3-ol, 2,6,6-Trimethylbicyclo(3.1.1)heptane-3-ol, (E)-Pinene hydrate, (E)-Pinan-2-ol, 2,6,6-TRIMETHYLBICYCLO(3.1.1)HEPTAN-2-OL, 2,6,6-Trimethylbicyclo(3.1.1)heptan-2-ol, (1alpha,2beta,5alpha)-, Bicyclo(3.1.1)heptan-2-ol, 2,6,6-trimethyl-, (1R,2R,5S)-rel-, Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl-, (1R,2R,5S)-rel-, (E)-2-pinanol, .beta.-Pinene hydroxide, UNII-Q3IVK90KUD, 2-PINANOL [HSDB], SCHEMBL221185, 2,6,6-Trimethylbicyclo[3.1.1]heptan-2-ol-, (1R,2R,5S)-rel-, DTXCID509180, 2,6,6-Trimethylbicyclo(3.1.1)heptan-2-ol, (1.alpha.,2.beta.,5.alpha.)-, STK055118, AKOS005385976, 2,6,6Trimethylbicyclo(3.1.1)heptane2ol, Bicyclo(3.1.1)heptan2ol, 2,6,6trimethyl, NS00013153, Bicyclo(3.1.1)heptan-2-ol, 2,6,6-trimethyl-, (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 | 185.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 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-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.394 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.942 |
| Compound Name | 2-Pinanol |
| 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 |
| Smiles | CC1(C2CCC(C1C2)(C)O)C |
| Nring | 5.0 |
| 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