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The molecular formula of 4-Cycloocten-1-yl isovalerate is C13H22O2.
The molecular weight of 4-Cycloocten-1-yl isovalerate is 210.31 g/mol.
The IUPAC name of 4-Cycloocten-1-yl isovalerate is [(4Z)-cyclooct-4-en-1-yl] 3-methylbutanoate.
The InChI of 4-Cycloocten-1-yl isovalerate is InChI=1S/C13H22O2/c1-11(2)10-13(14)15-12-8-6-4-3-5-7-9-12/h3-4,11-12H,5-10H2,1-2H3/b4-3-.
The InChIKey of 4-Cycloocten-1-yl isovalerate is NOCIMGBKIKPXQV-ARJAWSKDSA-N.
The canonical SMILES of 4-Cycloocten-1-yl isovalerate is CC(C)CC(=O)OC1CCCC=CCC1.
4-Cycloocten-1-yl isovalerate has 0 hydrogen bond donor count.
4-Cycloocten-1-yl isovalerate has 2 hydrogen bond acceptor count.
4-Cycloocten-1-yl isovalerate has 4 rotatable bond count.
Yes, 4-Cycloocten-1-yl isovalerate is a canonicalized compound.
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