2-(7-Bromoheptyloxy)tetrahydropyran - CAS 10160-25-5

Catalog:	BB073750
Product Name:	2-(7-Bromoheptyloxy)tetrahydropyran
CAS:	10160-25-5
Synonyms:	2-[(7-Bromoheptyl)oxy]tetrahydro-2H-pyran; 1-Bromo-7-(tetrahydropyranyloxy)heptane; 1-Tetrahydropyranyloxy-7-bromoheptane; 7-Bromo-1-(tetrahydropyranyloxy)heptane; 7-Bromo-1-heptanol Tetrahydropyranyl Ether; 7-Bromoheptyl Tetrahydropyranyl Ether

Technical Data

IUPAC Name:	2-(7-bromoheptoxy)oxane
Description:	2-(7-Bromoheptyloxy)tetrahydropyran is an intermediate in the synthesis of (8E)-Dodecen-1-ol (D525705) which is used in the study of the photochemical transformations of biologically active mono- and diene derivatives of pheromones.
Molecular Weight:	279.22
Molecular Formula:	C12H23BrO2
Canonical SMILES:	C1CCOC(C1)OCCCCCCCBr
InChI:	InChI=1S/C12H23BrO2/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h12H,1-11H2
InChI Key:	IJYBSQFJCPBQEG-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Pale Yellow to Yellow Oil
Storage:	4°C
References:	Sychev, A. Y., et al. Zh. Fiz. Khim., 60, 2512 (1986).

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	278.08814
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	278.08814
Rotatable Bond Count:	8
Topological Polar Surface Area:	18.5Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7