18-Crown-6
PubChem CID: 28557
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| Compound Synonyms | 18-Crown-6, 17455-13-9, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 18-crown-6-ether, 18-Crown-6 ether, Ethylene oxide cyclic hexamer, 18-Crown 6-Ether, MFCD00005113, CCRIS 3587, CHEBI:32397, EINECS 241-473-5, NSC 159836, UNII-63J177NC5B, Hexaoxacyclooctadecane, BRN 1619616, 18-crown6, 1,4,7,10,13,16-Hexanoxacyclooctadecane, 63J177NC5B, NSC-159836, 18-CROWN ETHER-6, 1,4,7,10,13,16-Hexaoxacyclooctadecane (18-Crown-6), CHEMBL155204, DTXSID7058626, 5-19-12-00601 (Beilstein Handbook Reference), 1,4,7,10,13,16Hexaoxa-Cyclooctadecane, 18-Crown-6 ether, Ethylene Oxide Cyclic Hexamer, 1,4,7,10,13,16-Hexaoxacyclooctadecane, NSC 159836, , 18-crown-6ether, O4B, 18-Crownether-6, 18crown6, 18crown-6, 18-crown 6, 18--Crown-6 ether, [18]crown-6, 18 -crown-6, 18-crown -6, Crown ether 18-crown-6, SCHEMBL1119, 18-Crown-6, 99%, DTXCID5032313, 18-Crown-6, pkg of 25 g, BCP24491, CS-D1202, HY-D0180, 18-Crown-6 Ether, 97+ Percent, BDBM50530238, NSC159836, STL185678, 18-Crown-6, >=99.0%, AKOS000268988, FC20589, 1,7,10,13,16-Hexaoxacyclooctadecane, 1,7,10,13,16-Hexanoxacyclooctadecane, WLN: T-18-O DO GO JO MO POTJ, 1,4,7,10,13,16-hexaoxacyclooctadecan, 1,4,7,10,13,16hexaoxacyclooctadecane, 3,6,9,12,15,18-hexaoxacyclooctadecan, AC-29207, BP-10155, SY002250, 1,4,7,10,13,16-Hexoxacyclooctadecane, 1,4,7,10,13,16Hexanoxacyclooctadecane, 1,4,7, 10,13,16-hexaoxacyclooctadecane, 1,4,7,10,13,16-hexaoxacyclo-octadecane, 1,4,7,10,13,16-hexaoxacycloocta-decane, 18-Crown-6, purum, >=99.0% (GC), NS00019952, EN300-17608, 18-C-6, doi:10.14272/XEZNGIUYQVAUSS-UHFFFAOYSA-N.1, Q3238432, 18-Crown-6, for ion chromatography, >=99.0% (GC), F0001-0636, 18-Crown-6 ether, Ethylene oxide cyclic hexamer, 1,4,7,10,13,16-Hexaoxacyclooctadecane |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCCCCCCCCCCCCC1 |
| Deep Smiles | OCCOCCOCCOCCOCCOCC%18 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1COCCOCCOCCOCCOCCO1 |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4,7,10,13,16-hexaoxacyclooctadecane |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -0.7 |
| Superclass | Organic oxygen compounds |
| Subclass | Ethers |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H24O6 |
| Scaffold Graph Node Bond Level | C1COCCOCCOCCOCCOCCO1 |
| Inchi Key | XEZNGIUYQVAUSS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 18-Crown-6 ether, Ethylene oxide cyclic hexamer, 1,4,7,10,13,16-hexaoxa-cyclooctadecane, 18-crown-6, ethylene oxide cyclic hexamer |
| Esol Class | Very soluble |
| Functional Groups | COC |
| Compound Name | 18-Crown-6 |
| Kingdom | Organic compounds |
| Exact Mass | 264.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 264.31 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2 |
| Smiles | C1COCCOCCOCCOCCOCCO1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dialkyl ethers |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1377 - 2. Outgoing r'ship
FOUND_INto/from Leucanthemum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1388751