Methyl (3-oxo-2-pentylcyclopent-1-en-1-yl)acetate

1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester
Dehydrohedione
Methyl (3-oxo-2-pentyl-1-cyclopenten-1-yl)acetate
Methyl 2-pentyl-3-oxo-1-cyclopentenylacetate
Methyl 3-oxo-2-pentyl-1-cyclopentene-1-acetate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	GJYFXPRHTPSOMM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h3-9H2,1-2H3
IUPAC name chemrof:IUPAC_name	Methyl (3-oxo-2-pentylcyclopent-1-en-1-yl)acetate
Molecular formula chemrof:molecular_formula	C13H20O3
Molecular mass chemrof:molecular_mass	224.3
Monoisotopic mass chemrof:monoisotopic_mass	224.141244
SMILES string chemrof:smiles_string	CCCCCC1=C(CC(=O)OC)CCC1=O

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=24863-70-5	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.112.109	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID10179574	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J144.669J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/90634	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q83050108	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
9cd7e428-be1f-41fd-9fe2-83650638d200	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
56e336d7-4f72-4782-b57f-2d9ea39cee38	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
359a2023-c7ac-47a3-b6e9-8a295ca3643f	Environmental → Air → Indoor	EF 3.1	kg	4
8df6f69e-e2c2-4768-ab77-a81c0ca88a77	Environmental → Air → Long-term	EF 3.1	kg	0
be94d149-e3dc-4a8d-96ac-08c5cea08f69	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
7b0c23c2-c9f1-4a4f-9b35-027ed5797bd2	Environmental → Air → Unknown	EF 3.1	kg	4
e3072e37-b903-4024-83b8-14f0893de0f8	Environmental → Ground → Agricultural	EF 3.1	kg	4
ec66f923-7846-45f9-ba29-7acdd86806e1	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
5c235b4f-3abf-445e-a148-a65a4c293cd2	Environmental → Ground → Unknown	EF 3.1	kg	4
4e3c9cd9-1ab0-4430-a932-533c0b115904	Environmental → Water → Long-term	EF 3.1	kg	0
c756c7f8-19d4-444e-9468-3f880e2495e5	Environmental → Water → Ocean	EF 3.1	kg	4
544ff69e-a5a9-49a2-860a-5fa2e32b32f5	Environmental → Water → Surface water	EF 3.1	kg	4
fa11cafc-253e-4644-ad27-0c164ea1281f	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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Methyl (3-oxo-2-pentylcyclopent-1-en-1-yl)acetate

Identity

Structure

Alternative labels

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