1,4-dioxaspiro[4.5]decan-8-ol - CAS 22428-87-1

Catalog:	BB017602
Product Name:	1,4-dioxaspiro[4.5]decan-8-ol
CAS:	22428-87-1
Synonyms:	1,4-dioxaspiro[4.5]decan-8-ol; 1,4-dioxaspiro[4.5]decan-8-ol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,4-dioxaspiro[4.5]decan-8-ol
Description:	1,4-Dioxaspiro[4.5]decan-8-ol can be used to synthesize pharmaceutical compounds such as diuretics.
Molecular Weight:	158.197
Molecular Formula:	C8H14O3
Canonical SMILES:	C1CC2(CCC1O)OCCO2
InChI:	InChI=1S/C8H14O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7,9H,1-6H2
InChI Key:	HKQTYQDNCKMNHZ-UHFFFAOYSA-N
Boiling Point:	269 °C at 760 mmHg
Density:	1.17 g/cm³
MDL:	MFCD00067003
LogP:	0.66440

Publication Number	Title	Priority Date
WO-2021203010-A1	Pyrrolo[2,3-f]indazole and 2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaene derivatives as alpha-1-antitrypsin modulators for treating alpha-1-antitrypsin deficiency (aatd)	20200403
US-2021299128-A1	Compounds for treating or inhibiting recurrence of acute myeloid leukemia	20200316
WO-2021184154-A1	Compounds for treating or inhibiting recurrence of acute myeloid leukemia	20200316
CN-112759538-A	3- (dimethylaminomethyl) cyclohexan-4-ol derivative, preparation method and pharmaceutical application thereof	20191106
CN-112830893-A	ROR gamma inhibitor, preparation method and medical application thereof	20191028

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.094294304
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	158.094294304
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3