decanal; (5E)-6,10-dimethylundeca-5,9-dien-2-one; 6-methylhept-5-en-2-one; nonanal; (E)-non-2-enal; octanal; (E)-oct-2-enal; 4,7,7-trimethylbicyclo[4.1.0]hept-3-ene

Systemtic Name: decanal; (5E)-6,10-dimethylundeca-5,9-dien-2-one; 6-methylhept-5-en-2-one; nonanal; (E)-non-2-enal; octanal; (E)-oct-2-enal; 4,7,7-trimethylbicyclo[4.1.0]hept-3-ene Openeye Name: decanal; (5E)-6,10-dimethylundeca-5,9-dien-2-one; 6-methylhept-5-en-2-one; nonanal; (E)-non-2-enal; octanal; (E)-oct-2-enal; 4,7,7-trimethylbicyclo[4.1.0]hept-3-ene CAS Name: decanal; (5E)-6,10-dimethyl-2-undeca-5,9-dienone; 6-methyl-5-hepten-2-one; nonanal; (E)-2-nonenal; octanal; (E)-2-octenal; 4,7,7-trimethylbicyclo[4.1.0]hept-3-ene IUPAC Name: decanal; (5E)-6,10-dimethylundeca-5,9-dien-2-one; 6-methylhept-5-en-2-one; nonanal; (E)-non-2-enal; octanal; (E)-oct-2-enal; 4,7,7-trimethylbicyclo[4.1.0]hept-3-ene Traditional Name: capraldehyde; caprylaldehyde; (5E)-6,10-dimethylundeca-5,9-dien-2-one; 6-methylhept-5-en-2-one; (E)-non-2-enal; (E)-oct-2-enal; pelargonaldehyde; 4,7,7-trimethylbicyclo[4.1.0]hept-3-ene Formula: C75H136O7 MolecularWeight: 1149.87814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=O.CCCCCCCCC=O.CCCCCCCC=O.CCCCCCC=CC=O.CCCCCC=CC=O.CC1=CCC2C(C1)C2(C)C.CC(=CCCC(=CCCC(=O)C)C)C.CC(=CCCC(=O)C)C

Isomeric SMILES

CCCCCCCCCC=O.CCCCCCCCC=O.CCCCCCCC=O.CCCCCC/C=C/C=O.CCCCC/C=C/C=O.CC1=CCC2C(C1)C2(C)C.CC(=CCC/C(=C/CCC(=O)C)/C)C.CC(=CCCC(=O)C)C

InChI

InChI=1S/C13H22O.C10H20O.C10H16.C9H18O.C9H16O.C8H14O.C8H16O.C8H14O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14;1-2-3-4-5-6-7-8-9-10-11;1-7-4-5-8-9(6-7)10(8,2)3;2*1-2-3-4-5-6-7-8-9-10;1-7(2)5-4-6-8(3)9;2*1-2-3-4-5-6-7-8-9/h7,9H,5-6,8,10H2,1-4H3;10H,2-9H2,1H3;4,8-9H,5-6H2,1-3H3;9H,2-8H2,1H3;7-9H,2-6H2,1H3;5H,4,6H2,1-3H3;8H,2-7H2,1H3;6-8H,2-5H2,1H3/b12-9+;;;;8-7+;;;7-6+