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
   -5.2497   -0.3056   -0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1448    0.6987   -0.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8929    0.1698   -1.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2792   -0.9791   -0.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8820   -0.6951    1.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8747    0.4016    1.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4264    0.0689    0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3396    1.2383    0.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6028    1.1190    0.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4638    0.0843    0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0771   -0.7403    1.2162 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867   -0.0441   -0.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1749    0.8336   -1.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6823   -1.1455    0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3978   -0.9082   -1.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2033    0.2612   -0.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1193   -0.9295    0.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5063    1.5372   -1.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9548    1.0972    0.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1885    1.0266   -1.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1283   -0.1606   -2.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9921   -1.8154   -0.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3860   -1.3051   -0.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4001   -1.6320    1.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7244   -0.4888    1.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    0.4467    2.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2146    1.3829    0.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8149   -0.8928    0.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1821   -0.0361   -0.6706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4231    1.4977    1.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8697    2.1538    0.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5009    1.6355   -1.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1201    0.7972   -1.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1933   -0.9534    1.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4218   -1.3612   -0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0491   -2.0573    0.2255 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