Tridecanol, 2-ethyl-2-methyl-
PubChem CID: 545928
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| Compound Synonyms | Tridecanol, 2-ethyl-2-methyl-, 1-Tridecanol, 2-ethyl-2-methyl-, 921600-09-1, 2-ethyl 2-methyl tridecanol, DTXSID40338016, 2-Ethyl-2-methyl-1-tridecanol # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols, Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCO))CC))C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 156.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethyl-2-methyltridecan-1-ol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H34O |
| Inchi Key | RHGHBLSDPQFOTE-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | 2-ethyl-2-methyl tridecanol |
| Esol Class | Moderately soluble |
| Functional Groups | CO |
| Compound Name | Tridecanol, 2-ethyl-2-methyl- |
| Exact Mass | 242.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 242.44 |
| 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/C16H34O/c1-4-6-7-8-9-10-11-12-13-14-16(3,5-2)15-17/h17H,4-15H2,1-3H3 |
| Smiles | CCCCCCCCCCCC(C)(CC)CO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 2. Outgoing r'ship
FOUND_INto/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748