3-methoxycyclohexan-1-one; (3S)-3-methoxy-2,2-dimethyl-pentanenitrile

Systemtic Name: 3-methoxycyclohexan-1-one; (3S)-3-methoxy-2,2-dimethyl-pentanenitrile Openeye Name: 3-methoxycyclohexanone; (3S)-3-methoxy-2,2-dimethyl-pentanenitrile CAS Name: 3-methoxy-1-cyclohexanone; (3S)-3-methoxy-2,2-dimethylpentanenitrile IUPAC Name: 3-methoxycyclohexan-1-one; (3S)-3-methoxy-2,2-dimethylpentanenitrile Traditional Name: 3-methoxycyclohexanone; (3S)-3-methoxy-2,2-dimethyl-valeronitrile Formula: C15H27NO3 MolecularWeight: 269.37978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)(C)C#N)OC.COC1CCCC(=O)C1

Isomeric SMILES

CC[C@@H](C(C)(C)C#N)OC.COC1CCCC(=O)C1

InChI

InChI=1S/C8H15NO.C7H12O2/c1-5-7(10-4)8(2,3)6-9;1-9-7-4-2-3-6(8)5-7/h7H,5H2,1-4H3;7H,2-5H2,1H3/t7-;/m0./s1