Methyl 3-oxo-2-(2-penten-1-yl)cyclopentaneacetate
Properties
- Molecular formula
- C13H20O3
- Molar mass
- 224.30 g/mol
- Exact mass
- 224.1412 Da
- logP
- 2.50Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 5
Hazards
Warning
- H302 Harmful if swallowed19% of notifiers
- H319 Causes serious eye irritation19% of notifiers
Aggregated from 211 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501
Identifiers
CAS number
39924-52-2SMILES
CCC=CCC1C(=O)CCC1CC(=O)OCInChIKey
GEWDNTWNSAZUDX-UHFFFAOYSA-NInChI
InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Cyclopentaneacetic acid, 3-oxo-2-(2-penten-1-yl)-, methyl ester
- Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester
- Methyl 2-pentenyl-3-oxocyclopentaneacetate
Work with Methyl 3-oxo-2-(2-penten-1-yl)cyclopentaneacetate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Methyl dihydrojasmonate24851-98-760 % similar
Propyl 3-oxo-2-pentylcyclopentaneacetate158474-72-743 % similar
Methyl linolenate301-00-842 % similar
Methyl β-oxocyclopropanepropanoate32249-35-736 % similar
Methyl 4-methyl-3-oxopentanoate42558-54-336 % similar
Methyl 3-hydroxyhexanoate21188-58-936 % similar
Dimethyl 3-methylglutarate19013-37-736 % similar
Methyl isovalerate556-24-136 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.