Dodecyloctaethyleneglycol monoether
PubChem CID: 123921
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| Compound Synonyms | 3055-98-9, Octaethylene glycol monododecyl ether, Octaethyleneglycol monododecyl ether, C12E8, 3,6,9,12,15,18,21,24-Octaoxahexatriacontan-1-ol, dodecyloctaethyleneglycol monoether, O-DODECANYL OCTAETHYLENE GLYCOL, Octaethyleneglycol-dodecylmonoether, n-Dodecyl octaethylene glycol monoether, Octaethylene Glycol Mono-N-Dodecyl Ether, 2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, CHEBI:41527, Dodecyl octaethylene glycol ether, C-12-E-8, DTXSID30184640, 2-(2-(2-(2-(2-(2-(2-(2-Dodecoxyethoxy)Ethoxy)Ethoxy)Ethoxy)Ethoxy)Ethoxy)Ethoxy)Ethanol, SCHEMBL60924, CHEMBL501722, DTXCID70107131, MFCD00043234, AKOS028110805, octaethyleneglycol mono-n-dodecyl ether, 81208-94-8, AS-55840, DA-72874, FO172444, HY-138941, CS-0173452, NS00013821, O0139, T72266, Octaethylene glycol monododecyl ether, >=98% (GC), Q7076696, Octaethylene glycol monododecyl ether, BioXtra, >=98.0% (GC), 696-071-6 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 94.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Triacylglycerols |
| Deep Smiles | CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| Heavy Atom Count | 37.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 389.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
| Class | Organooxygen compounds |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 4.1 |
| Superclass | Organic oxygen compounds |
| Subclass | Ethers |
| Gsk 4 400 Rule | False |
| Molecular Formula | C28H58O9 |
| Inchi Key | YYELLDKEOUKVIQ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 34.0 |
| Synonyms | Dodecyloctaethyleneglycol monoether, N-Dodecyl octaethylene glycol monoether, O-DODECANYL octaethylene glycol, Octaethyleneglycol-dodecylmonoether, C-12-e-8, octaethylene glycol monododecyl ether |
| Esol Class | Soluble |
| Functional Groups | CO, COC |
| Compound Name | Dodecyloctaethyleneglycol monoether |
| Kingdom | Organic compounds |
| Exact Mass | 538.408 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 538.408 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 538.8 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3 |
| Smiles | CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Polyethylene glycols |
| Np Classifier Superclass | Glycerolipids |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Napus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662616 - 2. Outgoing r'ship
FOUND_INto/from Leucanthemum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1388751