1,14-Tetradecanediol
PubChem CID: 88261
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| Compound Synonyms | 1,14-Tetradecanediol, tetradecane-1,14-diol, 19812-64-7, tetradecamethylene glycol, C14H30O2, MFCD00004758, 1,14-Tetradecanol, EINECS 243-341-2, 1,14-Dihydroxytetradecane, DTXSID5066534, 1,14-Tetradecandiol, Q9PJ9ZSL7Z, SCHEMBL158466, DTXCID7036163, BDBM36276, AKOS015856535, CS-W006457, DS-6571, SY106801, NS00026446, 1,14-tetradecanediol, tetradecane-1,14-diol, 243-341-2 |
|---|---|
| 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 | OCCCCCCCCCCCCCCO |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetradecane-1,14-diol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H30O2 |
| Inchi Key | XLKZJJVNBQCVIX-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | 1,14-tetradecanediol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 1,14-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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H30O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h15-16H,1-14H2 |
| Smiles | C(CCCCCCCO)CCCCCCO |
| 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 Ormocarpum Sennoides (Plant) Rel Props:Reference:ISBN:9770972795006