2,6-Dimethyloctan-2-ol
PubChem CID: 86751
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| Compound Synonyms | 2,6-Dimethyloctan-2-ol, Tetrahydromyrcenol, 18479-57-7, 2-Octanol, 2,6-dimethyl-, 2,6-Dimethyl-2-octanol, Tetrahydro myrcenol, UNII-EKV1VX27WR, EKV1VX27WR, DTXSID0044810, EINECS 242-361-9, 2,6-dimethyloctane-2-ol, AI3-24902, DTXCID8024810, J222.212D, TETRAHYDROMUGOL, 2,6-Dimethyl-octan-2-ol, 2-Octanol,2,6-dimethyl-, SCHEMBL112618, CHEMBL3188990, Tox21_300977, BBL028238, STL008015, AKOS015955726, NCGC00248240-01, NCGC00254879-01, VS-08702, CAS-18479-57-7, DB-282098, CS-0332366, NS00013209, Q27277222, 242-361-9 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | CCCCCCCO)C)C)))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 97.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethyloctan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H22O |
| Inchi Key | WRFXXJKURVTLSY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | tetrahydromyrcenol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 2,6-Dimethyloctan-2-ol |
| Exact Mass | 158.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 158.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H22O/c1-5-9(2)7-6-8-10(3,4)11/h9,11H,5-8H2,1-4H3 |
| Smiles | CCC(C)CCCC(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
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643781