2-Methoxytetrahydropyran - CAS 6581-66-4

Catalog:	BB032833
Product Name:	2-Methoxytetrahydropyran
CAS:	6581-66-4
Synonyms:	2-methoxyoxane

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Computed Properties

IUPAC Name:	2-methoxyoxane
Description:	2-Methoxytetrahydropyran (CAS# 6581-66-4) is a useful research chemical.
Molecular Weight:	116.16
Molecular Formula:	C6H12O2
Canonical SMILES:	COC1CCCCO1
InChI:	InChI=1S/C6H12O2/c1-7-6-4-2-3-5-8-6/h6H,2-5H2,1H3
InChI Key:	XTDKZSUYCXHXJM-UHFFFAOYSA-N
Boiling Point:	128-129 °C (lit.)
Density:	0.963 g/mL at 25°C(lit.)
MDL:	MFCD00075264
LogP:	1.15940

Publication Number	Title	Priority Date
US-2021179938-A1	Novel Anti-oxidant Compounds and Compositions	20191217
WO-2021029395-A1	Compound, polymer, composition, composition for film formation, pattern forming method, method for forming insulating film, method for producing compound, iodine-containing vinyl polymer and method for producing acetylated derivative of same	20190809
WO-2021021563-A1	Functionalized long-chain hydrocarbon mono- and di-carboxylic acids useful for the prevention or treatment of disease	20190726
WO-2021015005-A1	Wavelength conversion film, wavelength conversion film forming composition, and cluster-containing quantum dot production method	20190719
EP-3738614-A1	Methods for producing homogeneous antibody drug conjugates	20190513

PMID	Publication Date	Title	Journal
16331953	20051208	Intrinsic conformational preferences of substituted cyclohexanes and tetrahydropyrans evaluated at the CCSD(T) complete basis set limit: implications for the anomeric effect	The journal of physical chemistry. A
16054606	20050926	On the generalized valence bond description of the anomeric and exo-anomeric effects: an ab initio conformational study of 2-methoxytetrahydropyran	Carbohydrate research
15690417	20050415	Comparative performance of MM3(92) and two TINKER MM3 versions for the modeling of carbohydrates	Journal of computational chemistry
11859001	20020311	Synthesis and activity of a new methoxytetrahydropyran derivative as dual cyclooxygenase-2/5-lipoxygenase inhibitor	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	63.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.083729621
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	116.083729621
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9