3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-one
fo-a170167d63300d73
Identity
- Type
- Neutral molecule
- CAS
- 65113-95-3
- EC
- 265-450-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
2- 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)-
Properties
| 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 |
Known URLs
4Where 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 | https://www.wikidata.org/wiki/Q82854800 | enrich_references.pubchem_identifier_url |
Elementary flows
13| 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 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
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- This is not that chemical
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