[(1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-yl] acetate
PubChem CID: 5318106
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 399.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C17H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OHQVPALDBPHRKN-KRGQLDPDSA-N |
| Fcsp3 | 0.5882352941176471 |
| Logs | -3.134 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.889 |
| Compound Name | [(1R,4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-yl] acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 262.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 262.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.892636599999999 |
| Inchi | InChI=1S/C17H26O2/c1-13-8-6-10-14(2)16(19-15(3)18)12-17(4,5)11-7-9-13/h7-8,11,16H,2,6,9-10,12H2,1,3-5H3/b11-7+,13-8+/t16-/m1/s1 |
| Smiles | C/C/1=C\CCC(=C)[C@@H](CC(/C=C/C1)(C)C)OC(=O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amomum Krervanh (Plant) Rel Props:Source_db:cmaup_ingredients