Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:32399 - 12-crown-4
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
12-crown-4
ChEBI ID
CHEBI:32399
Definition
A crown ether that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 have been replaced by oxygen atoms.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C8H16O4
Net Charge
0
Average Mass
176.21024
Monoisotopic Mass
176.10486
InChI
InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2
InChIKey
XQQZRZQVBFHBHL-UHFFFAOYSA-N
SMILES
C1COCCOCCOCCO1
ChEBI Ontology
Outgoing
12-crown-4 (
CHEBI:32399
)
is a
crown ether (
CHEBI:37408
)
12-crown-4 (
CHEBI:32399
)
is a
saturated organic heteromonocyclic parent (
CHEBI:36389
)
IUPAC Name
1,4,7,10-tetraoxacyclododecane
Synonyms
Sources
12-crown-4 ether
NIST Chemistry WebBook
EOCT
ChemIDplus
ethylene oxide cyclic tetramer
NIST Chemistry WebBook
Manual Xref
Database
12-Crown-4
Wikipedia
View more database links
Registry Numbers
Types
Sources
1363064
Beilstein Registry Number
Beilstein
1363064
Reaxys Registry Number
Reaxys
294-93-9
CAS Registry Number
ChemIDplus
294-93-9
CAS Registry Number
NIST Chemistry WebBook
3287
Gmelin Registry Number
Gmelin
Citation
Type
Source
24281552
PubMed citation
Europe PMC
Last Modified
17 June 2014