[(2R,3S)-2-oxidanyl-3-propyl-heptyl] 2,2-dimethylpropanoate

Systemtic Name: [(2R,3S)-2-oxidanyl-3-propyl-heptyl] 2,2-dimethylpropanoate Openeye Name: [(2R,3S)-2-hydroxy-3-propyl-heptyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2R,3S)-2-hydroxy-3-propylheptyl] ester IUPAC Name: [(2R,3S)-2-hydroxy-3-propylheptyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2R,3S)-2-hydroxy-3-propyl-heptyl] ester Formula: C15H30O3 MolecularWeight: 258.3969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C(COC(=O)C(C)(C)C)O

Isomeric SMILES

CCCC[C@H](CCC)[C@H](COC(=O)C(C)(C)C)O

InChI

InChI=1S/C15H30O3/c1-6-8-10-12(9-7-2)13(16)11-18-14(17)15(3,4)5/h12-13,16H,6-11H2,1-5H3/t12-,13-/m0/s1