4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene
PubChem CID: 5316888
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C14H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RGYNQGHUYKQXOJ-UKTHLTGXSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -3.074 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.707 |
| Compound Name | 4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 190.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.123246 |
| Inchi | InChI=1S/C14H22/c1-12(2)8-7-9-13(3)14-10-5-4-6-11-14/h4-5,8-9,14H,6-7,10-11H2,1-3H3/b13-9+ |
| Smiles | CC(=CC/C=C(\C)/C1CCC=CC1)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients