2-Ethyl-1,3-dimethylcyclopent-2-enecarboxylic acid
PubChem CID: 579266
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| Compound Synonyms | 2-Ethyl-1,3-dimethylcyclopent-2-enecarboxylic acid, CDURUZDMQAUUOA-UHFFFAOYSA-N, 2-ethyl-1,3-dimethyl-cyclopent-2-ene-carboxylic acid, 2-Ethyl-1,3-dimethyl-2-cyclopentene-1-carboxylic acid # |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 240.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethyl-1,3-dimethylcyclopent-2-ene-1-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CDURUZDMQAUUOA-UHFFFAOYSA-N |
| Fcsp3 | 0.7 |
| Logs | -2.253 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.615 |
| Compound Name | 2-Ethyl-1,3-dimethylcyclopent-2-enecarboxylic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7590632 |
| Inchi | InChI=1S/C10H16O2/c1-4-8-7(2)5-6-10(8,3)9(11)12/h4-6H2,1-3H3,(H,11,12) |
| Smiles | CCC1=C(CCC1(C)C(=O)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients