methyl 1-[(E)-3-methyl-4-oxidanyl-but-2-enyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[(E)-3-methyl-4-oxidanyl-but-2-enyl]cyclohexane-1-carboxylate Openeye Name: methyl 1-[(E)-4-hydroxy-3-methyl-but-2-enyl]cyclohexanecarboxylate CAS Name: 1-[(E)-4-hydroxy-3-methylbut-2-enyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexane-1-carboxylate Traditional Name: 1-[(E)-4-hydroxy-3-methyl-but-2-enyl]cyclohexanecarboxylic acid methyl ester Formula: C13H22O3 MolecularWeight: 226.31198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1(CCCCC1)C(=O)OC)CO

Isomeric SMILES

C/C(=C\CC1(CCCCC1)C(=O)OC)/CO

InChI

InChI=1S/C13H22O3/c1-11(10-14)6-9-13(12(15)16-2)7-4-3-5-8-13/h6,14H,3-5,7-10H2,1-2H3/b11-6+