2-Pinanol, trans-
PubChem CID: 1268143
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| Compound Synonyms | trans-2-Pinanol, 4948-29-2, cis-Pinene hydrate, Pinan-2.beta.-ol, (1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol, Q3IVK90KUD, DTXSID8027583, Pinan-2beta-ol, NSC-2326, 2-Pinanol, trans-, 35408-04-9, (1R,2R,5S)-2,6,6-trimethylbicyclo(3.1.1)heptan-2-ol, NSC 2326, 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-, rel-(1R,2R,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptan-2-ol, NSC 2326, Pinan-2beta-ol, 10a-Pinan-2-ol, 10 alpha-Pinan-2-ol, (2R)-(-)-trans-2-Pinanol, 2,6,6-Trimethylbicyclo(3.1.1)heptan-2-ol, (1alpha,2beta,5alpha)-, DTXCID0065228, DTXSID7091545, 2-PINANOL, TRANS-(+/-)-, NS00114000 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC(C1)C2 |
| Np Classifier Class | Pinane monoterpenoids |
| Deep Smiles | C[C@@]O)CC[C@H]C[C@@H]6C4C)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2CC(C1)C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Scaffold Graph Node Bond Level | C1CC2CC(C1)C2 |
| Inchi Key | YYWZKGZIIKPPJZ-QXFUBDJGSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cis-pinene hydrate, pinene, cis, hydrate |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 2-Pinanol, trans- |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| 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(CC[C@H]2C[C@@H]1C2(C)C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
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