methyl (3R,4S)-4-methyl-2-methylidene-3-oxidanyl-hexanoate

Systemtic Name: methyl (3R,4S)-4-methyl-2-methylidene-3-oxidanyl-hexanoate Openeye Name: methyl (3R,4S)-3-hydroxy-4-methyl-2-methylene-hexanoate CAS Name: (3R,4S)-3-hydroxy-4-methyl-2-methylenehexanoic acid methyl ester IUPAC Name: methyl (3R,4S)-3-hydroxy-4-methyl-2-methylidenehexanoate Traditional Name: 2-[(1R,2S)-1-hydroxy-2-methyl-butyl]acrylic acid methyl ester Formula: C9H16O3 MolecularWeight: 172.22154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=C)C(=O)OC)O

Isomeric SMILES

CC[C@H](C)[C@H](C(=C)C(=O)OC)O

InChI

InChI=1S/C9H16O3/c1-5-6(2)8(10)7(3)9(11)12-4/h6,8,10H,3,5H2,1-2,4H3/t6-,8+/m0/s1