(2S,7S)-2-butyl-7-prop-2-enyl-2,3,6,7-tetrahydrooxepine

Systemtic Name: (2S,7S)-2-butyl-7-prop-2-enyl-2,3,6,7-tetrahydrooxepine Openeye Name: (2S,7S)-2-allyl-7-butyl-2,3,6,7-tetrahydrooxepine CAS Name: (2S,7S)-2-butyl-7-prop-2-enyl-2,3,6,7-tetrahydrooxepin IUPAC Name: (2S,7S)-2-butyl-7-prop-2-enyl-2,3,6,7-tetrahydrooxepine Traditional Name: (2S,7S)-2-allyl-7-butyl-2,3,6,7-tetrahydrooxepin Formula: C13H22O MolecularWeight: 194.31318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC=CCC(O1)CC=C

Isomeric SMILES

CCCC[C@H]1CC=CC[C@@H](O1)CC=C

InChI

InChI=1S/C13H22O/c1-3-5-9-13-11-7-6-10-12(14-13)8-4-2/h4,6-7,12-13H,2-3,5,8-11H2,1H3/t12-,13-/m0/s1