Dimethyl 1,5-bis(acetyloxy)-8,8-dimethylbicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylate

HCID 284604

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Basic information

CAS: 25864-63-5
Standard SMILES: COC(=O)C1=C(C(=O)OC)C2(OC(C)=O)C=C(OC(C)=O)C1C(C)(C)C2
InChIKey: SYWZUHNZDYUYCY-UHFFFAOYSA-N
Molecular formula: C18H22O8
Average molar mass: 366.4 g/mol
Monoisotopic mass: 366.13146766

Names & identifiers

Preferred name: Dimethyl 1,5-bis(acetyloxy)-8,8-dimethylbicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylate
IUPAC: dimethyl 1,5-diacetyloxy-8,8-dimethylbicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylate
English name: 1,5-Di(acetyloxy)-8,8-dimethylbicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylic acid dimethyl ester
Molecular formula: C18H22O8
Molecular weight: 366.36

Names & synonyms

25864-63-5NSC140636Dimethyl 1,5-bis(acetyloxy)-8,8-dimethylbicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylateDTXSID30301032SYWZUHNZDYUYCY-UHFFFAOYSA-NNSC-140636Bicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylic acid, 1,5-dihydroxy-8,8-dimethyl-, dimethyl ester, diacetateDimethyl 1,5-bis(acetyloxy)-8,8-dimethylbicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylate #Bicyclo[2.2.2]octa-2,3-dicarboxylic acid, 1,5-dihydroxy-8,8-dimethyl-, dimethyl ester, diacetate1,5-Di(acetyloxy)-8,8-dimethylbicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylic acid dimethyl esterBicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylic acid, 1,5-bis(acetyloxy)-8,8-dimethyl-, 2,3-dimethyl ester

Database identifiers

CAS: 25864-63-5
PubChem CID: 284604
DTXSID: DTXSID30301032
Nikkaji: J129.089D

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 105 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 742

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