4-[(Tetrahydropyran-2-yl)oxy]butanal - CAS 54911-85-2

Catalog:	BB028858
Product Name:	4-[(Tetrahydropyran-2-yl)oxy]butanal
CAS:	54911-85-2
Synonyms:	4-(2-oxanyloxy)butanal; 4-(oxan-2-yloxy)butanal

Technical Data

Patents

Computed Properties

IUPAC Name:	4-(oxan-2-yloxy)butanal
Description:	4-[(Tetrahydropyran-2-yl)oxy]butanal (CAS# 54911-85-2) is a useful building block.
Molecular Weight:	172.22
Molecular Formula:	C9H16O3
Canonical SMILES:	C1CCOC(C1)OCCCC=O
InChI:	InChI=1S/C9H16O3/c10-6-2-4-8-12-9-5-1-3-7-11-9/h6,9H,1-5,7-8H2
InChI Key:	UWMPHMYUITTYTD-UHFFFAOYSA-N
LogP:	1.50870

Publication Number	Title	Priority Date
CN-109678818-B	Method for synthesizing aggregation pheromone (E) -cis-6,7-epoxy-2-nonenal of taurus communis	20190115
WO-2020120521-A1	7-phenoxy-n-(3-azabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-5h-pyrrolo[1,2-b][1,2,4]triazol-2-amine derivatives and related compounds as gamma-secretase modulators for the treatment of alzheimer's disease	20181213
EP-3894411-A1	7-phenoxy-n-(3-azabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-5h-pyrrolo[1,2-b][1,2,4]triazol-2-amine derivatives and related compounds as gamma-secretase modulators for the treatment of alzheimer's disease	20181213
KR-20210102900-A	7-phenoxy-N-(3-azabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-5H-pyrrolo[ as a gamma-secretase modulator for the treatment of Alzheimer's disease 1,2-b][1,2,4]triazol-2-amine derivatives and related compounds	20181213
EP-3233859-A1	Erk inhibitors	20141215

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Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.109944368
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.109944368
Rotatable Bond Count:	5
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7