A Mixture Of: (e)-oxacyclohexadec-12-en-2-one; (e)-oxacyclohexadec-13-en-2-one; A) (z)-oxacyclohexadec-(12)-en-2-one And B) (z)-oxacyclohexadec-(13)-en-2-one
fo-d467a6ecfbf6397f
Identity
- Type
- Neutral molecule
- CAS
- 34902-57-3
- EC
- 422-320-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KHLFMZDGADSQGR-ACCUITESSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h11,13H,1-10,12,14H2/b13-11+ |
| Isomeric SMILES string chemrof:isomeric_smiles_string | C1CCCCCCOC(=O)/C=C/CCCCC1 |
| IUPAC name chemrof:IUPAC_name | (3E)-1-oxacyclohexadec-3-en-2-one |
| Molecular formula chemrof:molecular_formula | C15H26O2 |
| Molecular mass chemrof:molecular_mass | 238.371 |
| Monoisotopic mass chemrof:monoisotopic_mass | 238.19328 |
| SMILES string chemrof:smiles_string | O=C1C=CCCCCCCCCCCCCO1 |
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=34902-57-3 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.112.334 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12410118 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q76422820 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 2e848d7d-be7e-4cc3-a86b-67c4bd82ba14 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| e8600802-2094-42b3-9a7c-36fb72908e86 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| ef1647b7-7433-4a39-a338-b48dd62b81f1 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 1ed57f9c-1a47-477f-b7a7-0be8848cf28c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c08c300b-8afa-4e62-bed1-9bd596a929e2 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 3a95ce2c-8f34-4f49-8bca-6b6199f5f291 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| dac13161-1424-470c-a472-761c2c2d00b9 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 24dfa770-e1a4-4d84-a6ae-111003e9ade1 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 67af8acd-da46-43e7-8a7a-aae7c4239126 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 848091fb-47a0-485a-8807-5088783011ff | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 71076704-e6b1-4d78-b7c3-970760e2f16a | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| d899aa7b-07cc-4ec6-86a8-78864c413505 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 6b674994-57c4-46e2-ab53-edc2e44d0050 | 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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