2-(5-oxidanylhexan-2-yl)cycloheptan-1-one

Systemtic Name: 2-(5-oxidanylhexan-2-yl)cycloheptan-1-one Openeye Name: 2-(4-hydroxy-1-methyl-pentyl)cycloheptanone CAS Name: 2-(5-hydroxyhexan-2-yl)-1-cycloheptanone IUPAC Name: 2-(5-hydroxyhexan-2-yl)cycloheptan-1-one Traditional Name: 2-(4-hydroxy-1-methyl-pentyl)cycloheptanone Formula: C13H24O2 MolecularWeight: 212.32846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C)O)C1CCCCCC1=O

Isomeric SMILES

CC(CCC(C)O)C1CCCCCC1=O

InChI

InChI=1S/C13H24O2/c1-10(8-9-11(2)14)12-6-4-3-5-7-13(12)15/h10-12,14H,3-9H2,1-2H3