[(3S,5Z)-undeca-1,5-dien-3-yl] acetate
PubChem CID: 11816646
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(3S,5Z)-undeca-1,5-dien-3-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C13H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UGBVCTPSHZAOJV-ASCRHOAZSA-N |
| Fcsp3 | 0.6153846153846154 |
| Logs | -3.231 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.243 |
| Compound Name | [(3S,5Z)-undeca-1,5-dien-3-yl] acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 210.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.1896654 |
| Inchi | InChI=1S/C13H22O2/c1-4-6-7-8-9-10-11-13(5-2)15-12(3)14/h5,9-10,13H,2,4,6-8,11H2,1,3H3/b10-9-/t13-/m1/s1 |
| Smiles | CCCCC/C=C\C[C@@H](C=C)OC(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Delonix Regia (Plant) Rel Props:Source_db:cmaup_ingredients