4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxybutanoate

Systemtic Name: 4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxybutanoate Openeye Name: 4-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]butanoate CAS Name: 4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybutanoate IUPAC Name: 4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybutanoate Traditional Name: 4-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]butyrate Formula: C14H25O3- MolecularWeight: 241.3465

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCCCC(=O)[O-])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OCCCC(=O)[O-])C(C)C

InChI

InChI=1S/C14H26O3/c1-10(2)12-7-6-11(3)9-13(12)17-8-4-5-14(15)16/h10-13H,4-9H2,1-3H3,(H,15,16)/p-1/t11-,12+,13-/m0/s1