Mrv1652303202019002D 10 9 0 0 0 0 999 V2000 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 2 10 1 0 0 0 0 M END > CDB000721 > CDB > CC(C)=CCC(C)(C)C=C > InChI=1S/C10H18/c1-6-10(4,5)8-7-9(2)3/h6-7H,1,8H2,2-5H3 > HRAGAKKBZWYBSJ-UHFFFAOYSA-N > C10H18 > 138.254 > 138.14085058 > 0 > 28 > 18.26978065693745 > 1 > 0 > 0 > 0 > 3,3,6-trimethylhepta-1,5-diene > 4.73 > 3.740224402666667 > -3.39 > 0 > 0 > 0 > 0.0 > 48.4756 > 3 > 1 > 5.66e-02 g/l > 3,3,6-trimethylhepta-1,5-diene > 1 > CDB000721 > 3,3,6-Trimethyl-1,5-heptadiene $$$$