Chemical Name - Trimethyl orthobutyrate
Mol Weight - 148.201
Smiles - CCCC(OC)(OC)OC
Mol Weight - 148.201
Smiles - CCCC(OC)(OC)OC
| Property Value | |
| Mol Name | Trimethyl orthobutyrate |
| Molweight | 148.201 |
| Monoisotopic Mass | 148.109945 |
| Clogp | 1.5507 |
| Clogs | -0.902 |
| H Acceptors | 3 |
| Total Surface Area | 130.47 |
| Relative Psa | 0.22994 |
| Polar Surface Area | 27.69 |
| Druglikeness | -22.901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.6 |
| Molecular Flexibility | 0.75057 |
| Molecular Complexity | 0.65976 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 5 |
| Sp3 Atoms | 10 |
| Symmetric Atoms | 4 |
| Smiles | CCCC(OC)(OC)OC |
| InChIKey | InChI=1S/C7H16O3/c1-5-6-7(8-2,9-3)10-4/h5-6H2,1-4H3 |
| InChI | JAFMOTJMRSZOJE-UHFFFAOYSA-N |
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