(3S,4S,5S)-4-(hydroxymethyl)-3,4-dimethyl-5-(4-oxidanylpentyl)cyclohexan-1-one

Systemtic Name: (3S,4S,5S)-4-(hydroxymethyl)-3,4-dimethyl-5-(4-oxidanylpentyl)cyclohexan-1-one Openeye Name: (3S,4S,5S)-4-(hydroxymethyl)-3-(4-hydroxypentyl)-4,5-dimethyl-cyclohexanone CAS Name: (3S,4S,5S)-4-(hydroxymethyl)-3-(4-hydroxypentyl)-4,5-dimethyl-1-cyclohexanone IUPAC Name: (3S,4S,5S)-4-(hydroxymethyl)-3-(4-hydroxypentyl)-4,5-dimethylcyclohexan-1-one Traditional Name: (3S,4S,5S)-3-(4-hydroxypentyl)-4,5-dimethyl-4-methylol-cyclohexanone Formula: C14H26O3 MolecularWeight: 242.35444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC(C1(C)CO)CCCC(C)O

Isomeric SMILES

C[C@H]1CC(=O)C[C@@H]([C@@]1(C)CO)CCCC(C)O

InChI

InChI=1S/C14H26O3/c1-10-7-13(17)8-12(14(10,3)9-15)6-4-5-11(2)16/h10-12,15-16H,4-9H2,1-3H3/t10-,11?,12-,14-/m0/s1