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
   -4.8686    0.7309   -1.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9507   -0.2997   -0.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5928    0.3164    0.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7282   -0.4301    1.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3247   -0.6518    1.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0115   -1.3621   -0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5216   -1.5927   -0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1892   -0.2536   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6083   -0.4253   -0.1855 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3718    0.7488   -0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8062    1.8490   -0.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8223    0.6899   -0.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4029   -0.4795   -0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6031    1.9668   -0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8432    0.6438   -0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8320    0.4866   -2.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4749    1.7443   -1.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1691   -0.6214   -1.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6246   -1.2163   -0.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5321    0.5875    1.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1853    1.3568    0.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6811    0.0884    2.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1404   -1.4666    1.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8107   -1.1234    1.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8519    0.3992    1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1135   -0.6202   -1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5311   -2.2957   -0.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6986   -2.1454    0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -2.2063   -1.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8097    0.4005   -0.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0328    0.1807    0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8200   -1.3721   -0.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4723   -0.5301   -0.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6560    2.2516    0.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5957    1.8611   -0.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0436    2.7897   -0.6533 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