Propyl glycidyl ether
PubChem CID: 18406
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| Compound Synonyms | Propyl glycidyl ether, 2-(Propoxymethyl)oxirane, 3126-95-2, Glycidyl propyl ether, Oxirane, (propoxymethyl)-, (Propoxymethyl)oxirane, Propane, 1,2-epoxy-3-propoxy-, n-propyl glycidyl ether, (Propoxy methyl)oxirane, Ether, 2,3-epoxypropyl propyl, 1,2-EPOXY-3-PROPOXYPROPANE, EINECS 221-509-6, NSC 83412, BRN 0103029, 5-17-03-00011 (Beilstein Handbook Reference), 2-(Propoxymethyl)oxirane #, NCIOpen2_001013, Propane,2-epoxy-3-propoxy-, SCHEMBL143771, DTXSID601314886, NSC83412, NSC-83412, AKOS009396397, DB-068428, NS00046049 |
|---|---|
| Topological Polar Surface Area | 21.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 63.5 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(propoxymethyl)oxirane |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Is Pains | False |
| Molecular Formula | C6H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CWNOEVURTVLUNV-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Propyl glycidyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 116.084 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 116.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 116.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.4662919999999998 |
| Inchi | InChI=1S/C6H12O2/c1-2-3-7-4-6-5-8-6/h6H,2-5H2,1H3 |
| Smiles | CCCOCC1CO1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients