(4R)-3-(hydroxymethyl)-5,5-dimethyl-4-[(3S)-3-oxidanylbutyl]cyclohex-2-en-1-one

Systemtic Name: (4R)-3-(hydroxymethyl)-5,5-dimethyl-4-[(3S)-3-oxidanylbutyl]cyclohex-2-en-1-one Openeye Name: (4R)-4-[(3S)-3-hydroxybutyl]-3-(hydroxymethyl)-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: (4R)-4-[(3S)-3-hydroxybutyl]-3-(hydroxymethyl)-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: (4R)-4-[(3S)-3-hydroxybutyl]-3-(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-one Traditional Name: (4R)-4-[(3S)-3-hydroxybutyl]-5,5-dimethyl-3-methylol-cyclohex-2-en-1-one Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1C(=CC(=O)CC1(C)C)CO)O

Isomeric SMILES

C[C@@H](CC[C@H]1C(=CC(=O)CC1(C)C)CO)O

InChI

InChI=1S/C13H22O3/c1-9(15)4-5-12-10(8-14)6-11(16)7-13(12,2)3/h6,9,12,14-15H,4-5,7-8H2,1-3H3/t9-,12-/m0/s1