tert-Butyl 4-Oxocyclohexanecarboxylate - CAS 38446-95-6

Catalog:	BB023672
Product Name:	tert-Butyl 4-Oxocyclohexanecarboxylate
CAS:	38446-95-6
Synonyms:	4-oxo-1-cyclohexanecarboxylic acid tert-butyl ester; tert-butyl 4-oxocyclohexane-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-oxocyclohexane-1-carboxylate
Description:	tert-Butyl 4-Oxocyclohexanecarboxylate (CAS# 38446-95-6) is a useful research chemical.
Molecular Weight:	198.26
Molecular Formula:	C11H18O3
Canonical SMILES:	CC(C)(C)OC(=O)C1CCC(=O)CC1
InChI:	InChI=1S/C11H18O3/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h8H,4-7H2,1-3H3
InChI Key:	HYNBSBAWGATECV-UHFFFAOYSA-N
Boiling Point:	271.5 °C at 760 mmHg
Density:	1.042 g/cm³
LogP:	2.08740

Publication Number	Title	Priority Date
WO-2021018237-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases	20190731
CN-109824516-B	Preparation method of trans-4-hydroxycyclohexanecarboxylic acid tert-butyl ester	20190314
WO-2020145250-A1	15-pgdh inhibitor	20190108
CN-113226310-A	15-PGDH inhibitors	20190108
KR-20210113598-A	15-PGDH inhibitor	20190108

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.125594432
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.125594432
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2