Monomers

Octyl methacrylate

Identifiers

IUPAC name
octyl 2-methylprop-2-enoate
InchI
InChI=1S/C12H22O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h2,4-10H2,1,3H3
InchI Key
NZIDBRBFGPQCRY-UHFFFAOYSA-N
SMILES
CCCCCCCCOC(=O)C(=C)C
Canonical SMILES
CCCCCCCCOC(=O)C(=C)C
Isomeric SMILES
CCCCCCCCOC(=O)C(=C)C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H22O2
Heavy Atom Count
14
Molecular Weight
198.306
Exact Molecular Weight
198.162
Valence Electrons
82
Radical Electrons
0
tPSA
26.3
MolLogP
3.4662
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

 36 35  0  0  0  0  0  0  0  0999 V2000
    4.6683   -0.8378    0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3973   -1.0579   -0.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8791    0.2800   -1.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6080    1.1380    0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5937    0.4922    0.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2932    0.2371    0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2550    1.5225   -0.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4968    1.4832   -1.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6368    0.9226   -0.5653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9764   -0.3576   -0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1653   -1.2768   -0.5412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2735   -0.7391    0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1811    0.1721    0.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5908   -2.1607    0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1215    0.1664   -0.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4290   -1.5906   -0.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4433   -0.8214    1.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229   -1.5912   -0.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6087   -1.7118   -1.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9856    0.1812   -1.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6957    0.7756   -1.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3027    2.1623   -0.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5898    1.2201    0.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9910   -0.4569    1.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3479    1.1394    1.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4431   -0.4717   -0.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3917   -0.2397    0.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897    2.2532    0.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5492    2.0059   -0.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2955    1.1040   -2.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7611    2.5781   -1.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1249   -0.0729    1.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9419    1.2013    0.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2905   -2.4600    1.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6831   -2.3640    0.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1158   -2.8252   -0.1727 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  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 12 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  3 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  0
  8 31  1  0
 13 32  1  0
 13 33  1  0
 14 34  1  0
 14 35  1  0
 14 36  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers