5-methyl-3-(2-methylpropyl)hexan-2-one; 2-phenylethanal

Systemtic Name: 5-methyl-3-(2-methylpropyl)hexan-2-one; 2-phenylethanal Openeye Name: 3-isobutyl-5-methyl-hexan-2-one; 2-phenylacetaldehyde CAS Name: 5-methyl-3-(2-methylpropyl)-2-hexanone; 2-phenylacetaldehyde IUPAC Name: 5-methyl-3-(2-methylpropyl)hexan-2-one; 2-phenylacetaldehyde Traditional Name: 3-isobutyl-5-methyl-hexan-2-one; 2-phenylacetaldehyde Formula: C19H30O2 MolecularWeight: 290.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)C(=O)C.C1=CC=C(C=C1)CC=O

Isomeric SMILES

CC(C)CC(CC(C)C)C(=O)C.C1=CC=C(C=C1)CC=O

InChI

InChI=1S/C11H22O.C8H8O/c1-8(2)6-11(10(5)12)7-9(3)4;9-7-6-8-4-2-1-3-5-8/h8-9,11H,6-7H2,1-5H3;1-5,7H,6H2