2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-
PubChem CID: 10261
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| Compound Synonyms | 2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-, 3-methyl-2-pent-2-enylcyclopent-2-en-1-one, 3-Methyl-2-pent-2-enyl-cyclopent-2-enone, (EZ)-jasmone, (Z)-3-Methyl-2-(2-pentenyl)-2-cyclopentenone, 3-methyl-2-(pent-2-en-1-yl)cyclopent-2-en-1-one, DTXSID50859404, AKOS028108957, SY036136, 3- methyl-2-(2-pentenyl)-2-cylco-penten-1-one, Q65952186 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 233.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-2-pent-2-enylcyclopent-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C11H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | XMLSXPIVAXONDL-UHFFFAOYSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | -1.771 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.986 |
| Compound Name | 2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 164.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.0463376 |
| Inchi | InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3 |
| Smiles | CCC=CCC1=C(CCC1=O)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