2-Tetradecanol
PubChem CID: 20831
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| Compound Synonyms | 2-TETRADECANOL, Tetradecan-2-ol, 4706-81-4, sec-Tetradecyl alcohol, CHEBI:84284, Tetradecanol-2, (+/-)-2-Tetradecanol, 1-Methyltridecyl Alcohol, NSC 87599, NSC87599, 1-methyl-tridecanol, EINECS 225-192-5, MFCD00004552, NSC 87599, 2-Tetradecyl Alcohol, 2-Tetradecanol, 98%, AI3-35271, SCHEMBL258879, CHEMBL449586, DTXSID00871095, NSC-87599, AKOS009157168, CS-0362710, NS00045027, T0614, D92369, Q27157648 |
|---|---|
| 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 |
| Deep Smiles | CCCCCCCCCCCCCO)C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 112.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetradecan-2-ol |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H30O |
| Inchi Key | BRGJIIMZXMWMCC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | 2-Tetradecanol, 2-tetradecanol |
| Esol Class | Moderately soluble |
| Functional Groups | CO |
| Compound Name | 2-Tetradecanol |
| Kingdom | Organic compounds |
| Exact Mass | 214.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 214.39 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h14-15H,3-13H2,1-2H3 |
| Smiles | CCCCCCCCCCCCC(C)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643348