4-methyl-5-pentyl-1,3-dioxane; 3-pentylbicyclo[2.2.0]hexa-1(4),2,5-triene

Systemtic Name: 4-methyl-5-pentyl-1,3-dioxane; 3-pentylbicyclo[2.2.0]hexa-1(4),2,5-triene Openeye Name: 4-methyl-5-pentyl-1,3-dioxane; 3-pentylbicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: 4-methyl-5-pentyl-1,3-dioxane; 3-pentylbicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: 4-methyl-5-pentyl-1,3-dioxane; 3-pentylbicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: 3-amylbicyclo[2.2.0]hexa-1(4),2,5-triene; 5-amyl-4-methyl-1,3-dioxane Formula: C21H34O2 MolecularWeight: 318.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COCOC1C.CCCCCC1=CC2=C1C=C2

Isomeric SMILES

CCCCCC1COCOC1C.CCCCCC1=CC2=C1C=C2

InChI

InChI=1S/C11H14.C10H20O2/c1-2-3-4-5-9-8-10-6-7-11(9)10;1-3-4-5-6-10-7-11-8-12-9(10)2/h6-8H,2-5H2,1H3;9-10H,3-8H2,1-2H3