Bis(2-ethylhexyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

HCID 249588

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Basic information

CAS: 47616-64-8
Standard SMILES: CCCCC(CC)COC(=O)C1C2C=CC(C2)C1C(=O)OCC(CC)CCCC
InChIKey: GUVQPBGSPLOPRC-UHFFFAOYSA-N
Molecular formula: C25H42O4
Average molar mass: 406.6 g/mol
Monoisotopic mass: 406.30830982

Names & identifiers

Preferred name: Bis(2-ethylhexyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
IUPAC: bis(2-ethylhexyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

Names & synonyms

NSC68026bis(2-ethylhexyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylateSCHEMBL6524495DTXSID401173111NSC-68026Bicyclo[2,2,1]hept-5-ene-2,3-dicarboxylic acid, bis(2-ethylhexyl)ester47616-64-82,3-Bis(2-ethylhexyl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

Database identifiers

CAS: 47616-64-8
PubChem CID: 249588
DTXSID: DTXSID401173111

Properties

Computed structural properties

XLogP: 7.3
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 16
Heavy atoms: 29
Formal charge: 0
Complexity: 495

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