Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate
PubChem CID: 5367719
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| Compound Synonyms | Methyl jasmonate, 39924-52-2, Methyl 2-(3-oxo-2-(pent-2-en-1-yl)cyclopentyl)acetate, Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate, (3-Oxo-2-(2-pentenyl)-1-cyclopentyl)acetic acid methyl ester, ( inverted exclamation markA)-Methyl Jasmonate, Methyljasmonate, Methyl epi-jasmonate, FEMA No. 3410, Cyclopentaneacetic acid, 3-oxo-2-(2-penten-1-yl)-, methyl ester, Jasmonic acid methyl ester, Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate, 20073-13-6, EINECS 254-705-5, Methyl jasmonate, 95%, Methyl (3-oxo-2-[(2Z)-2-pentenyl]cyclopentyl)acetate #, CHEMBL184827, SCHEMBL1301885, SCHEMBL2496795, Cyclopentaneacetic acid, 3-oxo-trans-2-(cis-2-pentenyl), methyl ester, methyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate, Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, methyl ester,(1R,2R)-rel-, s3088, AKOS015855329, CS-W014223, FM75657, HY-W013507, Methyl jasmonate, >=98%, stabilized, FG, NS00012955, G60892, Q420102, Methyl jasmonate synthetic a-tocopherol as stabilizer, methyl 3-oxo-2-((E)-pent-2-enyl)cyclopentaneacetate, Methyl2-(3-oxo-2-(pent-2-en-1-yl)cyclopentyl)acetate, CYCLOPENTANE ACETIC ACID, 3-OXO-2PENTHYLMETHYL ESTER, Methyl 2- (3- oxo- 2- (pent- 2- en- 1- yl) cyclopentyl) acetate, 254-705-5 |
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| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 1.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Lineolic acids and derivatives |
| Molecular Formula | C13H20O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GEWDNTWNSAZUDX-SNAWJCMRSA-N |
| Fcsp3 | 0.6923076923076923 |
| Logs | -3.185 |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Logd | 1.518 |
| Synonyms | 3-oxo-2-(2-Pentenyl)cyclopentaneacetic acid methyl ester, Methyl (-)-jasmonate, (-)-Methyl jasmonate, 3-oxo-2-(2-Pentenyl)cyclopentaneacetate methyl ester, Methyl (-)-jasmonic acid, (-)-Methyl jasmonic acid, Methyl jasmonic acid, (-)-Jasmonic acid methyl ester, (3R,7R)-Methyl jasmonate, FEMA 3410, Jasmonic acid methyl ester, Methyl (2-pent-2-enyl-3-oxo-1-cyclopentyl)acetate, Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate, Methyl cis-jasmonate, Z-Methyl jasmonoate, Methyl epijasmonate |
| Compound Name | Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 224.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 224.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -2.0442599999999995 |
| Inchi | InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+ |
| Smiles | CC/C=C/CC1C(CCC1=O)CC(=O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Jasmonic acids |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all