cis-2-Pinanol
PubChem CID: 6428289
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| Compound Synonyms | cis-2-Pinanol, 4948-28-1, 2-Pinanol, cis-, Pinan-2-alpha-ol, Caswell No. 663L, 2J3SJ3OQEU, Bicyclo(3.1.1)heptan-2-ol, 2,6,6-trimethyl-, (1R,2S,5S)-rel-, (1R,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol, EINECS 225-591-4, PINAN-2.ALPHA.-OL, (1-alpha,2-alpha,5-alpha)-2,6,6-Trimethylbicyclo(3.1.1)heptan-2-ol, DTXSID3027582, trans-Pinene hydrate, 2,6,6-Trimethylbicyclo(3.1.1)heptan-2-ol, (1alpha,2alpha,5alpha)-, Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl-, (1R,2S,5S)-rel-, Bicyclo(3.1.1)heptan-2-ol, 2,6,6-trimethyl-, (1alpha,2alpha,5alpha)-, Bicyclo(3.1.1)heptan-2-ol, 2,6,6-trimethyl-, (1-alpha,2-alpha,5-alpha)-, UNII-2J3SJ3OQEU, (1R,2S,5S)-2,6,6-trimethylbicyclo(3.1.1)heptan-2-ol, PINAN-2ALPHA-OL, 2-Pinanol, cis-(8CI), DTXCID3065241, YYWZKGZIIKPPJZ-XKSSXDPKSA-N, DTXSID501046080, 2-PINANOL, CIS-(+/-)-, Bicyclo[3.1.1]heptan-2-ol, 2,6,6-trimethyl-, (1.alpha.,2.alpha.,5.alpha.)-, NS00081627, Q27254811, (1R,2S,5S)a2,6,6aTrimethylbicyclo[3.1.1]heptana2aol, (1alpha,2alpha,5alpha)-2,2,6-Trimethylbicyclo(3.1.1)heptan-2-ol, Bicyclo3.1.1heptan-2-ol, 2,6,6-trimethyl-, (1R,2S,5S)-rel- |
|---|---|
| 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,2S,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-XKSSXDPKSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | tans-pinene hydrate, trans-pinan-2-ol, trans-pinene hydrate |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | cis-2-Pinanol |
| 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 |
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