4-butyl-3,5,5-trimethyl-4-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 4-butyl-3,5,5-trimethyl-4-oxidanyl-cyclohex-2-en-1-one Openeye Name: 4-butyl-4-hydroxy-3,5,5-trimethyl-cyclohex-2-en-1-one CAS Name: 4-butyl-4-hydroxy-3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: 4-butyl-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: 4-butyl-4-hydroxy-3,5,5-trimethyl-cyclohex-2-en-1-one Formula: C13H22O2 MolecularWeight: 210.31258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=CC(=O)CC1(C)C)C)O

Isomeric SMILES

CCCCC1(C(=CC(=O)CC1(C)C)C)O

InChI

InChI=1S/C13H22O2/c1-5-6-7-13(15)10(2)8-11(14)9-12(13,3)4/h8,15H,5-7,9H2,1-4H3