What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?
K. M. de Silva and J. M. Goodman J. Chem. Inf. Model. 2005, 45, 81-87.
DOI: 10.1021/ci0497657

Canonical SMILES CC(C)C(C(C)(C)C)(C(C)(C)C)C(C)(C)C

InChI
InChI=1/C16H34/c1-12(2)16(13(3,4)5,14(6,7)8)15(9,10)11/h12H,1-11H3
AuxInfo=1/0/N:5,6,4,7,8,11,15,16,12,13,14,1,3,9,10,2/E:(1,2)(3,4,5,6,7,8,9,10,11)(13,14,15)/rA:16nCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s1;s1;s3;s3;s2;s2;s9;s10;s10;s10;s9;s9;/rC:-.8102,.6047,0;-.0957,.1922,0;.6187,.6047,0;1.3332,.1922,0;-1.2227,1.3192,0;-.3977,1.3192,0;.2062,1.3192,0;1.0312,1.3192,0;-.5082,-.5223,0;.3168,-.5223,0;-.2947,-1.3192,0;.1033,-1.3192,0;1.1418,-.5223,0;.9001,-1.1056,0;-1.3332,-.5223,0;-1.0916,-1.1056,0;

MInChI v0.9
MInChIxe1 C16H34 c1xh12xl2xr1 6xl13xl3xc4x r5xc14xl6xc7 xr8xr15xl9xc 10xr11xsh12H xc1xh11H3

Structure files