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
   -5.4507    1.0160   -0.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9293   -0.1281   -1.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7407   -0.7519   -1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6905    0.3332   -0.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4475   -0.2128   -0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4859    0.9442   -0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7959    0.5680    0.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710   -0.5279   -0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7031   -0.9162    0.4064 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7740   -0.0898    0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6948    1.1073    0.2268 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860   -0.6008    1.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0301   -1.8564    1.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1505    0.3098    1.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5490    0.8706   -0.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0235    1.0013    0.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1942    2.0012   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7268   -0.8901   -1.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5601    0.3167   -2.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2852   -1.5255   -1.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9860   -1.2194   -0.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3656    0.7115   -1.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0398    1.1961   -0.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9652   -0.9910   -0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7619   -0.6083    0.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9725    1.8293    0.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135    1.1871   -1.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5080    0.2380    1.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4395    1.4668    0.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6304   -0.2725   -1.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8254   -1.4401   -0.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9149   -2.2447    2.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1886   -2.4939    1.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1171   -0.2087    1.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0811    0.7728    2.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0772    1.1083    0.6628 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