3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-one

3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-3-penten-2-one
3-Penten-2-one, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	QQUWZMIGSXXJFV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C14H22O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-7,13H,8-9H2,1-5H3
IUPAC name chemrof:IUPAC_name	3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-one
Molecular formula chemrof:molecular_formula	C14H22O
Molecular mass chemrof:molecular_mass	206.329
Monoisotopic mass chemrof:monoisotopic_mass	206.167065
SMILES string chemrof:smiles_string	CC(=O)C(C)=CCC1CC=C(C)C1(C)C

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=65113-95-3	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID60867116	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/103210	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q82854800	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
c5f24108-e4f4-4382-97f3-007fc7917406	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
d90ab836-ee54-43e1-950d-85fb77faced2	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
6c61f438-56e4-4999-be10-5228ad3ffdde	Environmental → Air → Indoor	EF 3.1	kg	4
ab6247d1-f224-4f67-bd5d-f8526739c4ab	Environmental → Air → Long-term	EF 3.1	kg	0
75c146cf-1c1b-46fe-bb1c-a0017a13bf1b	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
01fc36c0-534d-4b2b-8a82-e3072e6fb6ee	Environmental → Air → Unknown	EF 3.1	kg	4
26a3b4de-81fa-41da-813f-1e28eae9ac64	Environmental → Ground → Agricultural	EF 3.1	kg	4
b0bc31a1-35f3-42fe-a740-e5181764b601	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
d7a10c14-8106-4648-8041-221dc6dd3973	Environmental → Ground → Unknown	EF 3.1	kg	4
3dd85b32-171d-4739-a3aa-d48d1c65ca5e	Environmental → Water → Long-term	EF 3.1	kg	0
57e40d2f-5c99-41bd-98ee-b34c04e13eb5	Environmental → Water → Ocean	EF 3.1	kg	4
e59ae645-6097-4637-8196-315de0c89f4d	Environmental → Water → Surface water	EF 3.1	kg	4
6a1de4b1-6e45-4938-a7cf-240027987b03	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-one

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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