Chemical Name - Diethyl Carbonate
Mol Weight - 118.131
Smiles - CCOC(OCC)=O
Mol Weight - 118.131
Smiles - CCOC(OCC)=O
| Property Value | |
| Mol Name | Diethyl Carbonate |
| Molweight | 118.131 |
| Monoisotopic Mass | 118.062995 |
| Clogp | 1.1446 |
| Clogs | -1.502 |
| H Acceptors | 3 |
| Total Surface Area | 103.29 |
| Relative Psa | 0.31988 |
| Polar Surface Area | 35.53 |
| Druglikeness | -8.44 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Shape Index | 0.875 |
| Molecular Flexibility | 0.30553 |
| Molecular Complexity | 0.53648 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 3 |
| Smiles | CCOC(OCC)=O |
| InChIKey | InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3 |
| InChI | OIFBSDVPJOWBCH-UHFFFAOYSA-N |
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1 - Diethyl Carbonate
2 - Diethyl Carbonate
1 - Diethyl Carbonate
2 - Diethyl Carbonate
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