Pentadecan-2-ol
PubChem CID: 96687
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| Compound Synonyms | 2-Pentadecanol, Pentadecan-2-ol, 1653-34-5, sec-Pentadecyl alcohol, EINECS 216-725-2, AI3-35277, DTXSID30870899, NSC 86160, Pentadecanol-(2), NSC86160, 2-hydroxypentadecane, methyl n-tridecyl carbinol, SCHEMBL21279, DTXCID00818581, CHEBI:197379, LMFA05000526, NSC-86160, AKOS009157246, NS00047543, 216-725-2 |
|---|---|
| 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 | CCCCCCCCCCCCCCO)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentadecan-2-ol |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ALVGHPMGQNBJRC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 1.0 |
| Logs | -5.403 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.972 |
| Synonyms | 2-pentadecanol |
| Esol Class | Moderately soluble |
| Functional Groups | CO |
| Compound Name | Pentadecan-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 228.41 |
| 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 | -4.678904 |
| Inchi | InChI=1S/C15H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h15-16H,3-14H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCC(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 Acmella Radicans (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1524 - 2. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Nepeta Cataria (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1211965