Cyclohexene, 1-(3-ethoxy-1-propenyl)-, (Z)-
PubChem CID: 5358347
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| Compound Synonyms | NSC244925, 51149-78-1, Cyclohexene, 1-(3-ethoxy-1-propenyl)-, (Z)-, Cyclohexene, (Z)-, DTXSID20418385, DRWNUSMKXPQONR-TWGQIWQCSA-N, NSC-244925, 1-[(1Z)-3-Ethoxy-1-propenyl]-1-cyclohexene # |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[(Z)-3-ethoxyprop-1-enyl]cyclohexene |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C11H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DRWNUSMKXPQONR-TWGQIWQCSA-N |
| Fcsp3 | 0.6363636363636364 |
| Logs | -2.84 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.492 |
| Compound Name | Cyclohexene, 1-(3-ethoxy-1-propenyl)-, (Z)- |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.288936799999999 |
| Inchi | InChI=1S/C11H18O/c1-2-12-10-6-9-11-7-4-3-5-8-11/h6-7,9H,2-5,8,10H2,1H3/b9-6- |
| Smiles | CCOC/C=C\C1=CCCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euodia Bodinieri (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euodia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Euodia Ruticarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients