2-Hexadecanol
PubChem CID: 85779
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-Hexadecanol, 14852-31-4, Hexadecan-2-ol, Hexadecanol-2, EINECS 238-917-5, NSC 87605, AI3-35278, DTXSID80871235, NSC87605, 2-Hexadecanol, 99%, Methyl tetradecyl carbinol, SCHEMBL259176, CHEMBL446956, DTXCID60818906, CHEBI:185029, NSC-87605, AKOS009157550, NS00052285, G85770, 238-917-5 |
|---|---|
| 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 | CCCCCCCCCCCCCCCO)C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexadecan-2-ol |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H34O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FVDRFBGMOWJEOR-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 1.0 |
| Logs | -5.84 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.038 |
| Synonyms | 2-hexadecanol |
| Esol Class | Moderately soluble |
| Functional Groups | CO |
| Compound Name | 2-Hexadecanol |
| Prediction Hob Swissadme | 0.0 |
| 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 |
| Esol | -5.040071399999999 |
| Inchi | InChI=1S/C16H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h16-17H,3-15H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCC(C)O |
| Nring | 0.0 |
| 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 Dictamnus Albus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699823 - 2. Outgoing r'ship
FOUND_INto/from Musa Paradisiaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712071 - 3. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all