Didecyl Ether
PubChem CID: 17152
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| Compound Synonyms | Decyl ether, 2456-28-2, Didecyl ether, DI-N-DECYL ETHER, Decane, 1,1'-oxybis-, 1-decoxydecane, Capric ether, 1,1'-Oxybisdecane, n-Decyl ether, 1-(Decyloxy)decane, dicapryl ether, DA81HI310Z, EINECS 219-533-7, NSC 83605, NSC-83605, COSMACOL ETHER 10, 1,1'-OXYBIS(DECANE), decylether, UNII-DA81HI310Z, Dindecyl ether, MFCD00026539, Decane,1'-oxybis-, Decyl ether (8CI), Decane, 1,1'oxybis, 1-(Decyloxy)decane #, SCHEMBL93211, DIDECYL ETHER [INCI], DTXSID4062430, NSC83605, STL453672, AKOS040744773, CS-0336237, D0035, NS00027692, D89584, Q27276304, 219-533-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCCCCCCOCCCCCCCCCC |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-decoxydecane |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 9.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H42O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LTSWUFKUZPPYEG-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 1.0 |
| Logs | -7.057 |
| Rotatable Bond Count | 18.0 |
| Logd | 4.665 |
| Synonyms | decyl ether |
| Esol Class | Poorly soluble |
| Functional Groups | COC |
| Compound Name | Didecyl Ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.324 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.324 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 298.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -6.223440999999999 |
| Inchi | InChI=1S/C20H42O/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3 |
| Smiles | CCCCCCCCCCOCCCCCCCCCC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 3. Outgoing r'ship
FOUND_INto/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748