cis-3-Butyl-4-vinyl-cyclopentene
PubChem CID: 11051844
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | cis-3-Butyl-4-vinyl-cyclopentene, DTXSID00880829, 93779-52-3, DTXCID301022185, 3-Butyl-4-vinyl-1-cyclopentene #, (3S,4S)-3-butyl-4-ethenylcyclopentene, NS00096173 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S,4S)-3-butyl-4-ethenylcyclopentene |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C11H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IVYGSBCZNNWNCE-MNOVXSKESA-N |
| Fcsp3 | 0.6363636363636364 |
| Logs | -4.444 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.196 |
| Compound Name | cis-3-Butyl-4-vinyl-cyclopentene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 150.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.172543 |
| Inchi | InChI=1S/C11H18/c1-3-5-7-11-9-6-8-10(11)4-2/h4,6,9-11H,2-3,5,7-8H2,1H3/t10-,11+/m1/s1 |
| Smiles | CCCC[C@H]1C=CC[C@H]1C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients