(3E)-3-[5-[(Z)-(2-oxooxolan-3-ylidene)methoxy]pentoxymethylidene]oxolan-2-one
Formula:C15H20O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[5-[(Z)-(2-oxooxolan-3-ylidene)methoxy]pentoxymethylidene]oxolan-2-one is a drug-like molecule.
| MolName | (3E)-3-[5-[(Z)-(2-oxooxolan-3-ylidene)methoxy]pentoxymethylidene]oxolan-2-one |
| MolecularFormula | C15H20O6 |
| Smiles | O=C1OCC/C1=C\OCCCCCO/C=C(/CCO1)\C1=O |
| InChI | InChI=1S/C15H20O6/c16-14-12(4-8-20-14)10-18-6-2-1-3-7-19-11-13-5-9-21-15(13)17/h10-11H,1-9H2 |
| InChIK | MDNAZUKVQVGSPN-UHFFFAOYSA-N |
| TotalMolweight | 296.318 |
| Molweight | 296.318 |
| MonoisotopicMass | 296.12599 |
| CLogP | 0.525 |
| CLogS | -2.31 |
| H Acceptors | 6 |
| TotalSurfaceArea | 235.26 |
| Relative PSA | 0.28088 |
| PolarSurfaceArea | 71.06 |
| Druglikeness | -5.6292 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 13 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-3-[5-[(Z)-(2-oxooxolan-3-ylidene)methoxy]pentoxymethylidene]oxolan-2-one | 2 - (3E)-3-[5-[(Z)-(2-oxooxolan-3-ylidene)methoxy]pentoxymethylidene]oxolan-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off