Cyclohexene, 3-(1-hexenyl)-, (E)-
PubChem CID: 5358331
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| Compound Synonyms | 55976-11-9, Cyclohexene, 3-(1-hexenyl)-, (E)-, NSC244874, Cyclohexene, (E)-, DTXSID40418382, AEIPVORMMZTNMZ-RMKNXTFCSA-N, 3-[(E)-hex-1-enyl]-cyclohexene, AKOS024263060, NSC-244874, 3-[(1E)-1-Hexenyl]-1-cyclohexene #, 3-[(1E)-Hex-1-en-1-yl]cyclohex-1-ene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 153.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(E)-hex-1-enyl]cyclohexene |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C12H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AEIPVORMMZTNMZ-RMKNXTFCSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -5.492 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.448 |
| Compound Name | Cyclohexene, 3-(1-hexenyl)-, (E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 164.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.624910399999999 |
| Inchi | InChI=1S/C12H20/c1-2-3-4-6-9-12-10-7-5-8-11-12/h6-7,9-10,12H,2-5,8,11H2,1H3/b9-6+ |
| Smiles | CCCC/C=C/C1CCCC=C1 |
| 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