15-Crown-5
PubChem CID: 36336
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| Compound Synonyms | 15-Crown-5, 33100-27-5, 1,4,7,10,13-PENTAOXACYCLOPENTADECANE, 15-Crown-5 ether, 15-Crown 5-Ether, MFCD00005110, CCRIS 3586, EINECS 251-379-6, BRN 1618144, CHEBI:32401, [15]crown-5, DTXSID7067746, 5-19-12-00252 (Beilstein Handbook Reference), (15)crown-5, 1,4,10,13-Pentaoxacyclopentadecane, 1,4,7,10,13-pentaoxacylopentadecane, Lead ionophore V, 15-crown 5, SCHEMBL78595, 15-Crown-5, 98%, 7G6K9SB27Y, CHEMBL156289, DTXCID9038634, BCP24526, BBL011088, STK802309, AKOS005622525, 1,4,7,10,13Pentaoxacyclopentadecane, CS-W007451, HY-W007451, 1,4,7,10,13Pentaoxa-Cyclopentadecane, 1,4,7,10,13-pentaoxa-cyclopentadecane, 15C5, SY009952, 15-Crown-5, purum, >=98.0% (GC), NS00014941, 1, 4, 7, 10, 13-pentaoxacyclopentadecane, 15-Crown-5, Vetec(TM) reagent grade, 98%, EN300-6743610, A821622, Q4550134, 10CAF7BC-91EC-44DF-A9EB-501EA2C83E15, 1,4,7,10,13-Pentaoxacyclopentadecane, 15-Crown-5 Ether, 15C5, Crown Ether O 15, EYO |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCCCCCCCCCC1 |
| Deep Smiles | OCCOCCOCCOCCOCC%15 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1COCCOCCOCCOCCO1 |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4,7,10,13-pentaoxacyclopentadecane |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -0.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20O5 |
| Scaffold Graph Node Bond Level | C1COCCOCCOCCOCCO1 |
| Inchi Key | VFTFKUDGYRBSAL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,4,7,10,13-pentaoxa-cyclopentadecane, 15-crown-5 |
| Esol Class | Very soluble |
| Functional Groups | COC |
| Compound Name | 15-Crown-5 |
| Exact Mass | 220.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 220.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2 |
| Smiles | C1COCCOCCOCCOCCO1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Napus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662616 - 2. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1377