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

Systemtic Name: (4R,5S)-5-(hydroxymethyl)-3,3-dimethyl-4-[(3S)-3-oxidanylbutyl]cyclohexan-1-one Openeye Name: (4R,5S)-4-[(3S)-3-hydroxybutyl]-5-(hydroxymethyl)-3,3-dimethyl-cyclohexanone CAS Name: (4R,5S)-4-[(3S)-3-hydroxybutyl]-5-(hydroxymethyl)-3,3-dimethyl-1-cyclohexanone IUPAC Name: (4R,5S)-4-[(3S)-3-hydroxybutyl]-5-(hydroxymethyl)-3,3-dimethylcyclohexan-1-one Traditional Name: (4R,5S)-4-[(3S)-3-hydroxybutyl]-3,3-dimethyl-5-methylol-cyclohexanone Formula: C13H24O3 MolecularWeight: 228.32786

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

InChI

InChI=1S/C13H24O3/c1-9(15)4-5-12-10(8-14)6-11(16)7-13(12,2)3/h9-10,12,14-15H,4-8H2,1-3H3/t9-,10+,12+/m0/s1