3,3,5-trimethyl-4-oxidanyl-4-(3-oxidanylbut-1-ynyl)cyclohexan-1-one

Systemtic Name: 3,3,5-trimethyl-4-oxidanyl-4-(3-oxidanylbut-1-ynyl)cyclohexan-1-one Openeye Name: 4-hydroxy-4-(3-hydroxybut-1-ynyl)-3,3,5-trimethyl-cyclohexanone CAS Name: 4-hydroxy-4-(3-hydroxybut-1-ynyl)-3,3,5-trimethyl-1-cyclohexanone IUPAC Name: 4-hydroxy-4-(3-hydroxybut-1-ynyl)-3,3,5-trimethylcyclohexan-1-one Traditional Name: 4-hydroxy-4-(3-hydroxybut-1-ynyl)-3,3,5-trimethyl-cyclohexanone Formula: C13H20O3 MolecularWeight: 224.2961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC(C1(C#CC(C)O)O)(C)C

Isomeric SMILES

CC1CC(=O)CC(C1(C#CC(C)O)O)(C)C

InChI

InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h9-10,14,16H,7-8H2,1-4H3