(2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane
PubChem CID: 163095254
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 9.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 195.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C11H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RGPDUZJTXGUAPI-WDEREUQCSA-N |
| Fcsp3 | 0.6363636363636364 |
| Logs | -2.882 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.92 |
| Compound Name | (2S,6S)-2-ethenyl-2-methyl-6-prop-1-en-2-yloxane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 166.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6855368 |
| Inchi | InChI=1S/C11H18O/c1-5-11(4)8-6-7-10(12-11)9(2)3/h5,10H,1-2,6-8H2,3-4H3/t10-,11+/m0/s1 |
| Smiles | CC(=C)[C@@H]1CCC[C@@](O1)(C)C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients