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
    3.2311   -1.7739   -0.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3256   -0.7471   -0.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.3294    0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9798    1.2210    0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6064    0.6219    0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6597    1.8429    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7822    1.4556    0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1579    0.5245   -0.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5037    0.1461   -0.9119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0606   -0.5461    0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3274   -0.8474    1.1170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4681   -0.9036    0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9974   -1.5601    1.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3086   -0.5370   -1.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6071   -1.7125   -1.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7279   -2.8065   -0.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6432   -1.7662    0.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3195   -1.2549   -0.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3600   -0.3360   -1.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2311   -0.0980    1.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614    1.0023    0.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0218    1.8222   -0.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0244    1.9825    0.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4024    0.0384    1.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -0.0032   -0.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8929    2.3251   -0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9439    2.4789    0.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1076    1.1077    1.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3577    2.4072   -0.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5608   -0.4198   -0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9496    1.0128   -1.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0403   -1.8278    1.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833   -1.8262    1.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0137   -1.1768   -1.9147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3813   -0.7054   -0.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1732    0.5300   -1.3408 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