ethanoic acid; 3-methyl-2-pentyl-cyclopentan-1-one

Systemtic Name: ethanoic acid; 3-methyl-2-pentyl-cyclopentan-1-one Openeye Name: acetic acid; 3-methyl-2-pentyl-cyclopentanone CAS Name: acetic acid; 3-methyl-2-pentyl-1-cyclopentanone IUPAC Name: acetic acid; 3-methyl-2-pentylcyclopentan-1-one Traditional Name: acetic acid; 2-amyl-3-methyl-cyclopentanone Formula: C13H24O3 MolecularWeight: 228.32786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(CCC1=O)C.CC(=O)O

Isomeric SMILES

CCCCCC1C(CCC1=O)C.CC(=O)O

InChI

InChI=1S/C11H20O.C2H4O2/c1-3-4-5-6-10-9(2)7-8-11(10)12;1-2(3)4/h9-10H,3-8H2,1-2H3;1H3,(H,3,4)