1-[(4S,5R)-5-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]tridecan-2-one

Systemtic Name: 1-[(4S,5R)-5-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]tridecan-2-one Openeye Name: 1-[(4S,5R)-5-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]tridecan-2-one CAS Name: 1-[(4S,5R)-5-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]-2-tridecanone IUPAC Name: 1-[(4S,5R)-5-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]tridecan-2-one Traditional Name: 1-[(4S,5R)-5-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]tridecan-2-one Formula: C25H48O3 MolecularWeight: 396.64682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)CC1C(COC(O1)(C)C)CCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)C[C@H]1[C@@H](COC(O1)(C)C)CCCCCC

InChI

InChI=1S/C25H48O3/c1-5-7-9-11-12-13-14-15-17-19-23(26)20-24-22(18-16-10-8-6-2)21-27-25(3,4)28-24/h22,24H,5-21H2,1-4H3/t22-,24+/m1/s1