Diethyl 2,5-dioxobicyclo[2.2.2]octane-1,4-dicarboxylate

Catalog Number	ACM843594-1
CAS	843-59-4
Structure
IUPAC Name	diethyl 2,5-dioxobicyclo[2.2.2]octane-1,4-dicarboxylate
Synonyms	843-59-4;diethyl 2,5-dioxobicyclo[2.2.2]octane-1,4-dicarboxylate;1,4-diethyl 2,5-dioxobicyclo[2.2.2]octane-1,4-dicarboxylate;DIETHYL-2,5-DIOXOBICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLATE;Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, 2,5-dioxo-, diethyl ester;Diethyl-2,5-dioxobicyclo[2,2,2]octane-1,4-dicarboxylate;NSC176184;diethyl2,5-dioxobicyclo[2.2.2]octane-1,4-dicarboxylate;Maybridge1_005592;Oprea1_397021;Oprea1_490849;DivK1c_001880;SCHEMBL22397059;HMS557G04;DTXSID10306424;ANW-47769;MFCD00213759;AKOS003619995;CCG-247156;MCULE-5294561811;NSC-176184;CDS1_000840;AK-50163;AS-69838;DB-017769;FT-0624821;W8703;EN300-51294;J3.501.401B;A19221;S-6317;Z57169635;Diethyl 2,5-dioxobicyclo-[2.2.2]octane-1,4-dicarboxylate;2,5-Dioxobicyclo[2.2.2]-1,4-dicarboxylic acid diethyl ester
Molecular Weight	282.29g/mol
Molecular Formula	C14H18O6
Canonical SMILES	CCOC(=O)C12CCC(CC1=O)(C(=O)C2)C(=O)OCC
InChI	InChI=1S/C14H18O6/c1-3-19-11(17)13-5-6-14(8-9(13)15,10(16)7-13)12(18)20-4-2/h3-8H2,1-2H3
InChI Key	ZRMZQKZRZQCGJV-UHFFFAOYSA-N
Complexity	438
Covalently-Bonded Unit Count	1
Exact Mass	282.11033829g/mol
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Monoisotopic Mass	282.11033829g/mol
NSC Number	176184
Rotatable Bond Count	6
Topological Polar Surface Area	86.7Å²
X Log P3	0.5

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