(2R,3S)-3-methyl-2-[(E)-pent-1-enyl]-2,3,6,7-tetrahydrooxepine

Systemtic Name: (2R,3S)-3-methyl-2-[(E)-pent-1-enyl]-2,3,6,7-tetrahydrooxepine Openeye Name: (2R,3S)-3-methyl-2-[(E)-pent-1-enyl]-2,3,6,7-tetrahydrooxepine CAS Name: (2R,3S)-3-methyl-2-[(E)-pent-1-enyl]-2,3,6,7-tetrahydrooxepin IUPAC Name: (2R,3S)-3-methyl-2-[(E)-pent-1-enyl]-2,3,6,7-tetrahydrooxepine Traditional Name: (2R,3S)-3-methyl-2-[(E)-pent-1-enyl]-2,3,6,7-tetrahydrooxepin Formula: C12H20O MolecularWeight: 180.2866

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1C(C=CCCO1)C

Isomeric SMILES

CCC/C=C/[C@@H]1[C@H](C=CCCO1)C

InChI

InChI=1S/C12H20O/c1-3-4-5-9-12-11(2)8-6-7-10-13-12/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3/b9-5+/t11-,12+/m0/s1