4-butyl-3-methyl-3-(2-methylpropyl)dodecan-2-one

Systemtic Name: 4-butyl-3-methyl-3-(2-methylpropyl)dodecan-2-one Openeye Name: 4-butyl-3-isobutyl-3-methyl-dodecan-2-one CAS Name: 4-butyl-3-methyl-3-(2-methylpropyl)-2-dodecanone IUPAC Name: 4-butyl-3-methyl-3-(2-methylpropyl)dodecan-2-one Traditional Name: 4-butyl-3-isobutyl-3-methyl-dodecan-2-one Formula: C21H42O MolecularWeight: 310.55758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCC)C(C)(CC(C)C)C(=O)C

Isomeric SMILES

CCCCCCCCC(CCCC)C(C)(CC(C)C)C(=O)C

InChI

InChI=1S/C21H42O/c1-7-9-11-12-13-14-16-20(15-10-8-2)21(6,19(5)22)17-18(3)4/h18,20H,7-17H2,1-6H3