4-Methyltetrahydropyran-4-ol - CAS 7525-64-6

Catalog:	BB035278
Product Name:	4-Methyltetrahydropyran-4-ol
CAS:	7525-64-6
Synonyms:	4-methyl-4-oxanol; 4-methyloxan-4-ol

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Computed Properties

IUPAC Name:	4-methyloxan-4-ol
Description:	4-Methyltetrahydropyran-4-ol (CAS# 7525-64-6) is a useful research chemical.
Molecular Weight:	116.16
Molecular Formula:	C6H12O2
Canonical SMILES:	CC1(CCOCC1)O
InChI:	InChI=1S/C6H12O2/c1-6(7)2-4-8-5-3-6/h7H,2-5H2,1H3
InChI Key:	DCUYGCJQVJXUHU-UHFFFAOYSA-N
MDL:	MFCD13193576
LogP:	0.54780

Publication Number	Title	Priority Date
WO-2021203011-A1	Rip1k inhibitors	20200402
WO-2021122558-A1	Substituted 4-methylene-tetrahydropyrans, 4-methyl-dihydropyrans and 4-methyl-tetrahydropyrans and use thereof as aroma chemicals	20191216
WO-2021119523-A1	Use of atr inhibitors in combination with parp inhibitors	20191211
WO-2021046382-A1	Rip1 inhibitory compounds and methods for making and using the same	20190906
WO-2021046407-A1	Rip1 inhibitory compounds and methods for making and using the same	20190906

PMID	Publication Date	Title	Journal
21579249	20100430	2-Cyclo-hexyl-4-methyl-tetra-hydro-pyran-4-ol	Acta crystallographica. Section E, Structure reports online

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2-(p-Tolyl)tetrahydro-2H-pyran-4-ol

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	74.6
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	116.083729621
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1