Diethylene glycol diacetate
PubChem CID: 69411
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Diethylene glycol diacetate, 628-68-2, Oxydiethylene acetate, Diethyleneglycol diacetate, Ethanol, 2,2'-oxybis-, diacetate, Diethylene glycol, diacetate, Diethyleneglycoldiacetate, Diglycol, diacetate, 2-(2-acetyloxyethoxy)ethyl acetate, Oxydiethylene di(acetate), Acetic acid, oxydiethylene ester, Bis(2-acetoxyethyl) ether, 9OA65529VT, NSC 6310, NSC-6310, EINECS 211-049-4, Oxybis(2-ethyl Acetate), 2-[2-(Acetyloxy)ethoxy]ethyl acetate, BRN 1777856, UNII-9OA65529VT, AI3-01458, Ethanol, 2,2'-oxybis-, 1,1'-diacetate, CHEBI:87344, DTXSID90879242, oxydi(ethane-2,1-diyl) diacetate, 4-02-00-00216 (Beilstein Handbook Reference), oxydiethan-2,1-diyldiacetat, Diglykol-diacetat, MFCD00026211, SCHEMBL853024, Ethanol,2'-oxybis-, diacetate, Diethyleneglycol diacetate, 97%, NSC6310, DTXCID401017256, Diethylene glycol, diacetate (8CI), ETHANOL,2,2-OXYBIS-DIACETATE, AKOS003625013, FD62557, HY-W096085, 2-[2-(Acetyloxy)ethoxy]ethyl acetate #, DA-56518, CS-0147716, D1230, NS00015594, acetic acid 2-(2-acetoxy-ethoxy)-ethyl ester, D84632, Q27159547 |
|---|---|
| Topological Polar Surface Area | 61.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 148.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-acetyloxyethoxy)ethyl acetate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Is Pains | False |
| Molecular Formula | C8H14O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UBPGILLNMDGSDS-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 8.0 |
| Compound Name | Diethylene glycol diacetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 190.084 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 190.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 190.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.40300899999999995 |
| Inchi | InChI=1S/C8H14O5/c1-7(9)12-5-3-11-4-6-13-8(2)10/h3-6H2,1-2H3 |
| Smiles | CC(=O)OCCOCCOC(=O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients