Diethyl Cyclopentane-1,1-dicarboxylate - CAS 4167-77-5

Name: Diethyl Cyclopentane-1,1-dicarboxylate
Brand: BOC Sciences
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Catalog:	BB024931
Product Name:	Diethyl Cyclopentane-1,1-dicarboxylate
CAS:	4167-77-5
Synonyms:	cyclopentane-1,1-dicarboxylic acid diethyl ester; diethyl cyclopentane-1,1-dicarboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	diethyl cyclopentane-1,1-dicarboxylate
Description:	Diethyl Cyclopentane-1,1-dicarboxylate (CAS# 4167-77-5) is a useful research chemical.
Molecular Weight:	214.26
Molecular Formula:	C11H18O4
Canonical SMILES:	CCOC(=O)C1(CCCC1)C(=O)OCC
InChI:	InChI=1S/C11H18O4/c1-3-14-9(12)11(7-5-6-8-11)10(13)15-4-2/h3-8H2,1-2H3
InChI Key:	NAKRHRXBVSLQAO-UHFFFAOYSA-N
Boiling Point:	246 °C at 760 mmHg
Density:	1.096 g/cm³
MDL:	MFCD00219321
LogP:	1.67300

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[1016519-61-1]C8H10N2O2
2-(Methyl-2-pyridylamino)acetic Acid
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide
[108397-75-7]C8H10N2O2
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

Publication Number	Title	Priority Date
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619
US-2021171474-A1	Glycolate oxidase inhibitors for the treatment of disease	20171229
US-10632210-B2	Peptidomimetic compounds and antibody-drug conjugates thereof	20131216
US-2016279261-A1	Peptidomimetic compounds and antibody-drug conjugates thereof	20131216
US-2019083643-A1	Peptidomimetic compounds and antibody-drug conjugates thereof	20131216

Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.12050905
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	214.12050905
Rotatable Bond Count:	6
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3