Bicyclo[3.2.0]hept-2-ene, 4-ethoxy-, endo-
PubChem CID: 557661
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| Compound Synonyms | VIFJCKJDUKYPNS-UHFFFAOYSA-N, Bicyclo[3.2.0]hept-2-ene, 4-ethoxy-, endo-, Bicyclo[3.2.0]hept-3-en-2-yl ethyl ether # |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-ethoxybicyclo[3.2.0]hept-2-ene |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C9H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VIFJCKJDUKYPNS-UHFFFAOYSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -2.457 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.911 |
| Compound Name | Bicyclo[3.2.0]hept-2-ene, 4-ethoxy-, endo- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 138.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.755602 |
| Inchi | InChI=1S/C9H14O/c1-2-10-9-6-4-7-3-5-8(7)9/h4,6-9H,2-3,5H2,1H3 |
| Smiles | CCOC1C=CC2C1CC2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients