1,2-Tetradecanediol
PubChem CID: 89436
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| Compound Synonyms | 1,2-Tetradecanediol, Tetradecane-1,2-diol, 21129-09-9, Myristyl glycol, tetradecylene glycol, XJ32081WYO, NSC-71507, UNII-XJ32081WYO, (+/-)-MYRISTYL GLYCOL, CHEBI:84951, N-TETRADECANE-1,2-DIOL, 1,2-TETRADECYLENE GLYCOL, EINECS 244-228-0, MYRISTYL GLYCOL, (+/-)-, NSC 71507, AI3-13104, 1,2-Dihydroxytetradecane, Dodecyl Glycol, NSC71507, MFCD00009986, 1,2-tetradecanadiol, NCIOpen2_003424, SCHEMBL466171, MYRISTYL GLYCOL [INCI], DTXSID501021933, AKOS015837552, DB-005627, 1,2-Tetradecanediol, technical grade, 90%, NS00051761, T1353, G70288, Q27158214 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCCCO))O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 126.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetradecane-1,2-diol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H30O2 |
| Inchi Key | DWANEFRJKWXRSG-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | 1,2-tetradecanediol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 1,2-Tetradecanediol |
| Exact Mass | 230.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 230.39 |
| 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/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h14-16H,2-13H2,1H3 |
| Smiles | CCCCCCCCCCCCC(CO)O |
| 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 Marsilea Quadrifolia (Plant) Rel Props:Reference:ISBN:9770972795006