1-(4-pentan-2-ylphenoxy)adamantane

Systemtic Name: 1-(4-pentan-2-ylphenoxy)adamantane Openeye Name: 1-[4-(1-methylbutyl)phenoxy]adamantane CAS Name: 1-(4-pentan-2-ylphenoxy)adamantane IUPAC Name: 1-(4-pentan-2-ylphenoxy)adamantane Traditional Name: 1-[4-(1-methylbutyl)phenoxy]adamantane Formula: C21H30O MolecularWeight: 298.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC=C(C=C1)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCC(C)C1=CC=C(C=C1)OC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30O/c1-3-4-15(2)19-5-7-20(8-6-19)22-21-12-16-9-17(13-21)11-18(10-16)14-21/h5-8,15-18H,3-4,9-14H2,1-2H3