5-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxane - CAS 4728-12-5

Catalog:	BB026250
Product Name:	5-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxane
CAS:	4728-12-5
Synonyms:	(2,2-dimethyl-1,3-dioxan-5-yl)methanol; (2,2-dimethyl-1,3-dioxan-5-yl)methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	(2,2-dimethyl-1,3-dioxan-5-yl)methanol
Description:	5-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxane (CAS# 4728-12-5) is a useful research chemical compound.
Molecular Weight:	146.18
Molecular Formula:	C7H14O3
Canonical SMILES:	CC1(OCC(CO1)CO)C
InChI:	InChI=1S/C7H14O3/c1-7(2)9-4-6(3-8)5-10-7/h6,8H,3-5H2,1-2H3
InChI Key:	BTAUZIVCHJIXAX-UHFFFAOYSA-N
Boiling Point:	207.7 °C at 760 mmHg
Density:	1.004 g/cm³
LogP:	0.37780

Publication Number	Title	Priority Date
WO-2021206182-A1	Compound, contrast medium, and method for producing compound	20200410
WO-2021191379-A1	5-amino-8-(4-pyridyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one compounds for use against cancer	20200326
US-2021147360-A1	Ssao inhibitors and use thereof	20191029
WO-2021041671-A1	Kras g12d inhibitors	20190829
WO-2021013481-A1	Aqueous cationic polyurethane dispersions	20190725

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Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.094294304
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.094294304
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0