2-[(E)-6-(1,3-dioxolan-2-yl)hex-3-enyl]-1,3-dioxolane
Formula:C12H20O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-6-(1,3-dioxolan-2-yl)hex-3-enyl]-1,3-dioxolane is a drug-like molecule.
| MolName | 2-[(E)-6-(1,3-dioxolan-2-yl)hex-3-enyl]-1,3-dioxolane |
| MolecularFormula | C12H20O4 |
| Smiles | C(C/C=C/CCC1OCCO1)C1OCCO1 |
| InChI | InChI=1S/C12H20O4/c1(3-5-11-13-7-8-14-11)2-4-6-12-15-9-10-16-12/h1-2,11-12H,3-10H2 |
| InChIK | HOODLTWZYCVMGG-UHFFFAOYSA-N |
| TotalMolweight | 228.287 |
| Molweight | 228.287 |
| MonoisotopicMass | 228.13616 |
| CLogP | 1.9136 |
| CLogS | -1.794 |
| H Acceptors | 4 |
| TotalSurfaceArea | 188.08 |
| Relative PSA | 0.21268 |
| PolarSurfaceArea | 36.92 |
| Druglikeness | -11.99 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 14 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - 2-[(E)-6-(1,3-dioxolan-2-yl)hex-3-enyl]-1,3-dioxolane | 2 - 2-[(E)-6-(1,3-dioxolan-2-yl)hex-3-enyl]-1,3-dioxolane
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