6 5 0 0000 0 0 0 0 0999 V2000 1.1532 -2.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.1532 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2995 -1.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1532 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4527 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 3 6 1 0 M END > InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3 > MSXVEPNJUHWQHW-UHFFFAOYSA-N > 1/0/N:6,4,5,3,2,1/E:(2,3)/rA:6nOCCCCC/rB:s1;s2;s2;s2;s3;/rC:1.1532,-2.6655,0;1.1532,-1.3258,0;2.2995,-1.9888,0;0,-1.9888,0;1.1532,0,0;3.4527,-1.3258,0; > C5 H12 O > 88.14818 > OC(C)(C)CC > 6165 $$$$