Oxalic acid, butyl 1-menthyl ester
PubChem CID: 6421322
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Oxalic acid, butyl 1-menthyl ester, SUPHHMFMRORGNA-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-O-butyl 2-O-(5-methyl-2-propan-2-ylcyclohexyl) oxalate |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C16H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SUPHHMFMRORGNA-UHFFFAOYSA-N |
| Fcsp3 | 0.875 |
| Logs | -2.428 |
| Rotatable Bond Count | 8.0 |
| Logd | -0.059 |
| Compound Name | Oxalic acid, butyl 1-menthyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 284.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.565455200000001 |
| Inchi | InChI=1S/C16H28O4/c1-5-6-9-19-15(17)16(18)20-14-10-12(4)7-8-13(14)11(2)3/h11-14H,5-10H2,1-4H3 |
| Smiles | CCCCOC(=O)C(=O)OC1CC(CCC1C(C)C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients