Chemical Name - Trimethyl orthovalerate
Mol Weight - 162.228
Smiles - CCCCC(OC)(OC)OC
Mol Weight - 162.228
Smiles - CCCCC(OC)(OC)OC
| Property Value | |
| Mol Name | Trimethyl orthovalerate |
| Molweight | 162.228 |
| Monoisotopic Mass | 162.125595 |
| Clogp | 2.0051 |
| Clogs | -1.172 |
| H Acceptors | 3 |
| Total Surface Area | 144.23 |
| Relative Psa | 0.208 |
| Polar Surface Area | 27.69 |
| Druglikeness | -26.171 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.63636 |
| Molecular Flexibility | 0.74196 |
| Molecular Complexity | 0.54161 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 6 |
| Sp3 Atoms | 11 |
| Symmetric Atoms | 4 |
| Smiles | CCCCC(OC)(OC)OC |
| InChIKey | InChI=1S/C8H18O3/c1-5-6-7-8(9-2,10-3)11-4/h5-7H2,1-4H3 |
| InChI | XUXVVQKJULMMKX-UHFFFAOYSA-N |
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1 - Trimethyl orthovalerate
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1 - Trimethyl orthovalerate
2 - Trimethyl orthovalerate
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