(2-Methyl-5-Prop-1-En-2-Ylcyclohexyl) Acetate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1730107 | |
| PubChem: | 30248 | |
| IUPAC: | (2-methyl-5-prop-1-en-2-ylcyclohexyl) acetate | |
| Standard InChI: | InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3 | |
| Standard InChI Key: | TUSIZTVSUSBSQI-UHFFFAOYSA-N | |
| SMILES: | CC(=O)OC1CC(CCC1C)C(=C)C | |
Molecular propeties
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| AlogP: | 2.93 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 196.15 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.75 | |
| Number of carbons: | 12 | |