(5,5-dimethyl-1-oxidanyl-nonan-4-yl) ethanoate

Systemtic Name: (5,5-dimethyl-1-oxidanyl-nonan-4-yl) ethanoate Openeye Name: [1-(3-hydroxypropyl)-2,2-dimethyl-hexyl] acetate CAS Name: acetic acid (1-hydroxy-5,5-dimethylnonan-4-yl) ester IUPAC Name: (1-hydroxy-5,5-dimethylnonan-4-yl) acetate Traditional Name: acetic acid [1-(3-hydroxypropyl)-2,2-dimethyl-hexyl] ester Formula: C13H26O3 MolecularWeight: 230.34374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(CCCO)OC(=O)C

Isomeric SMILES

CCCCC(C)(C)C(CCCO)OC(=O)C

InChI

InChI=1S/C13H26O3/c1-5-6-9-13(3,4)12(8-7-10-14)16-11(2)15/h12,14H,5-10H2,1-4H3