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
   -5.3049    1.8187    1.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9242    0.9611    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4462    0.5897    0.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0082   -0.2567   -0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5738   -0.6589   -0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7024    0.5610   -0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7393    0.0840   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6664    1.2722   -0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785    0.8027    0.1286 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6844    0.0215   -0.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1046   -0.3285   -1.8147 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0518   -0.4281   -0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181   -0.1143    0.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045   -1.2722   -1.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4118    2.4186    1.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6925    1.2264    2.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0795    2.5661    1.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5123    0.0265    0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9613    1.5224   -0.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3746    0.1005    1.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8853    1.5402    0.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0373    0.3942   -1.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6275   -1.1667   -0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2395   -1.3956   -1.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4955   -1.1418    0.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9471    1.1831    0.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7532    1.1254   -1.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359   -0.5527   -0.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8419   -0.5608    0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5155    1.8168   -0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3752    1.9346    0.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2484    0.4983    1.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7192   -0.4511    0.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9454   -0.6412   -2.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0056   -2.0996   -1.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6423   -1.7430   -1.1076 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