15-Crown-5 - CAS 33100-27-5

Catalog:	BB069214
Product Name:	15-Crown-5
CAS:	33100-27-5
Synonyms:	1,4,7,10,13-Pentaoxacyclopentadecane; 15-Crown-5 Ether; 15C5; Crown Ether O 15

Technical Data

IUPAC Name:	1,4,7,10,13-pentaoxacyclopentadecane
Description:	15-Crown-5 is a catalyst used in the synthesis of organic molecules and lanthanide complexes. It can induce cytotoxicity and oxidative stress markers in WI38 cells. Studies show that 15-Crown-5 is also an effective chelating agent used for removing cesium in cesium-exposed mice.
Molecular Weight:	220.26
Molecular Formula:	C10H20O5
Canonical SMILES:	C1COCCOCCOCCOCCO1
InChI:	InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2
InChI Key:	VFTFKUDGYRBSAL-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Colourless Oil
Storage:	Refrigerator
References:	Li, L. et al. J. Organometal. Chem., 794, 231 (2015); Gonzalez-Bello, C. et al. J. Am Chem. Soc., 137, 9333 (2015); Llobet, J.M., et al. Metal Ions Biol. Med., 4, 487 (1996).

Complexity:	86.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.13107373
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.13107373
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5