3-methylbutanal; (5-methyl-2-propan-2-yl-cyclohexyl) 3-methylbutanoate

Systemtic Name: 3-methylbutanal; (5-methyl-2-propan-2-yl-cyclohexyl) 3-methylbutanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 3-methylbutanoate; 3-methylbutanal CAS Name: 3-methylbutanal; 3-methylbutanoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: 3-methylbutanal; (5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate Traditional Name: 3-methylbutyraldehyde; 3-methylbutyric acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C20H38O3 MolecularWeight: 326.51392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(C)C)C(C)C.CC(C)CC=O

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CC(C)C)C(C)C.CC(C)CC=O

InChI

InChI=1S/C15H28O2.C5H10O/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4;1-5(2)3-4-6/h10-14H,6-9H2,1-5H3;4-5H,3H2,1-2H3