Ethyl 1-Oxaspiro[2.5]octane-6-carboxylate - CAS 171361-65-2

Catalog:	BB012739
Product Name:	Ethyl 1-Oxaspiro[2.5]octane-6-carboxylate
CAS:	171361-65-2
Synonyms:	1-oxaspiro[2.5]octane-6-carboxylic acid ethyl ester; ethyl 1-oxaspiro[2.5]octane-6-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 1-oxaspiro[2.5]octane-6-carboxylate
Description:	Ethyl 1-Oxaspiro[2.5]octane-6-carboxylate (CAS# 171361-65-2) is a useful research chemical.
Molecular Weight:	184.23
Molecular Formula:	C10H16O3
Canonical SMILES:	CCOC(=O)C1CCC2(CC1)CO2
InChI:	InChI=1S/C10H16O3/c1-2-12-9(11)8-3-5-10(6-4-8)7-13-10/h8H,2-7H2,1H3
InChI Key:	GQJWTOYPOHWVKC-UHFFFAOYSA-N
MDL:	MFCD12498695
LogP:	1.50870

Publication Number	Title	Priority Date
US-2018127368-A1	Tricyclic sulfones as ror gamma modulators	20161109
US-10273259-B2	Tricyclic sulfones as RORÎ³ modulators	20150507
US-2016326195-A1	TRICYCLIC SULFONES AS RORy MODULATORS	20150507
US-2018002358-A1	Tricyclic sulfones as ror gamma modulators	20150507
US-2019241588-A1	Tricyclic sulfones as ror gamma modulators	20150507

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Related Functional Groups

Carbonyl Compounds

[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

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

Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.109944368
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.109944368
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2