Monomers

Hexyl methacrylate

Identifiers

IUPAC name
hexyl 2-methylprop-2-enoate
InchI
InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3
InchI Key
LNCPIMCVTKXXOY-UHFFFAOYSA-N
SMILES
CCCCCCOC(=O)C(=C)C
Canonical SMILES
CCCCCCOC(=O)C(=C)C
Isomeric SMILES
CCCCCCOC(=O)C(=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H18O2
Heavy Atom Count
12
Molecular Weight
170.252
Exact Molecular Weight
170.1307
Valence Electrons
70
Radical Electrons
0
tPSA
26.3
MolLogP
2.686
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 30 29  0  0  0  0  0  0  0  0999 V2000
   -4.7048   -0.8129    0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9410    0.1903   -0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4698   -0.1956   -0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6077    0.7397   -0.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1714    0.3006   -0.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2777    0.3154    0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6143   -0.0754    0.6650 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6611    0.5831    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4605    1.6227   -0.5805 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9923    0.0652    0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    0.7018   -0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2183   -1.1702    1.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7772   -1.7596    0.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7345   -0.4849    0.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1095   -1.0359    1.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3083    0.2556   -1.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0681    1.2107    0.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3867   -1.2166   -0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2313   -0.1911    0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8768    0.7521   -1.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    1.7855   -0.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1092   -0.7796   -1.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4912    0.8902   -1.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2955   -0.4163    1.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2007    1.3254    1.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    1.6028   -0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9985    0.3296   -0.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2972   -1.4259    1.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7666   -1.0938    2.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6616   -2.0130    0.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  3
 10 12  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
 11 26  1  0
 11 27  1  0
 12 28  1  0
 12 29  1  0
 12 30  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers