Tetrahydro-2-(7-octyn-1-yloxy)-2H-pyran - CAS 16695-31-1

Catalog:	BB057565
Product Name:	Tetrahydro-2-(7-octyn-1-yloxy)-2H-pyran
CAS:	16695-31-1
Synonyms:	Tetrahydro-2-(7-octynyloxy)-2H-pyran; 2-(7-Octynyloxy)tetrahydro-2H-pyran; 8-(Tetrahydropyran-2-yloxy)-1-octyne

Technical Data

IUPAC Name:	2-oct-7-ynoxyoxane
Description:	Tetrahydro-2-(7-octyn-1-yloxy)-2H-pyran is commonly used as a reagent to synthesize sex pheromones of various insects (e.g. phyllocnistis citrella and autographa gamma L.). Tetrahydro-2-(7-octyn-1-yloxy)-2H-pyran is also used as a reagent to synthesize long chain ω- and (ω-1)-hydroxy fatty acids.
Molecular Weight:	210.31
Molecular Formula:	C13H22O2
Canonical SMILES:	C#CCCCCCCOC1CCCCO1
InChI:	InChI=1S/C13H22O2/c1-2-3-4-5-6-8-11-14-13-10-7-9-12-15-13/h1,13H,3-12H2
InChI Key:	NNZDDWHYRFZHLF-UHFFFAOYSA-N
References:	Abrams, S. Chem. Phys. Lipids, 28, 379 (1981); Moreira, J., et al. J. Chem. Ecol., 32, 169 (2006); Toth, M., et al. J. Chem. Ecol., 9, 1317 (1983).

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.16197994
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.16197994
Rotatable Bond Count:	7
Topological Polar Surface Area:	18.5Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3