3-(trimethoxysilyl)propyl (2e,4e)-hexa-2,4-dienoate
fo-256aa90850dc6820
Identity
- Type
- Neutral molecule
- CAS
- 163802-53-7
- EC
- 642-902-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
3- 2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-
- 2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (E,E)-
- 3-(Trimethoxysilyl)propyl (2E,4E)-2,4-hexadienoate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | BEEJHAQLEWGNOO-SBIWHPGTSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H22O5Si/c1-5-6-7-9-12(13)17-10-8-11-18(14-2,15-3)16-4/h5-7,9H,8,10-11H2,1-4H3/b6-5+,9-7+ |
| Isomeric SMILES string chemrof:isomeric_smiles_string | C/C=C/C=C/C(=O)OCCC[Si](OC)(OC)OC |
| IUPAC name chemrof:IUPAC_name | 3-(trimethoxysilyl)propyl (2e,4e)-hexa-2,4-dienoate |
| Molecular formula chemrof:molecular_formula | C12H22O5Si |
| Molecular mass chemrof:molecular_mass | 274.389 |
| Monoisotopic mass chemrof:monoisotopic_mass | 274.12365 |
| SMILES string chemrof:smiles_string | CC=CC=CC(=O)OCCC[Si](OC)(OC)OC |
Known URLs
6Where 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=163802-53-7 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.170.723 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID30889042 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.204.839K | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/58361202 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q76754242 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 9e0dd024-83be-4207-843a-58ac6669c4e5 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 836c8d3c-961d-43d8-a00d-ec09b2c18f22 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 67eaeb1d-d00e-43d8-8dc0-e84fbef44fc3 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 9d15d39a-281b-4f10-acce-51f91c78b650 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 73091994-00cf-4db5-9e41-8ab8b17984c6 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| f23d621b-d569-4fb7-9d6e-2a2711576d5b | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 4bcdd2fb-7436-44d1-a654-5309fa94d199 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 2071d278-6d4d-475a-807a-72051b4f2971 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 5e2ebc0c-8ec0-4422-b134-70bf04bf58a4 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 6ca90344-fbcd-487d-ad11-b6ef01ae2819 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 45f106ee-3293-4fbf-aa89-783dc7bf7cd6 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 7e35b125-1e1c-4e50-91dd-32189bd416e6 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 81596c37-50b1-4aba-96a1-adbe74493182 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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