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
    5.4193   -1.2665   -0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1210    0.0118    0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7217    0.4635   -0.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565   -0.6318    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3583   -0.2743   -0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8883    0.9773    0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5157    1.3207   -0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4465    0.2211    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7784    0.6046   -0.1822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8445   -0.2612    0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5487   -1.3513    0.6412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2049    0.0632   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5124    1.1946   -0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2879   -0.9037   -0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5150   -1.3228   -0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0297   -2.1343   -0.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8834   -1.2660   -1.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8244    0.8169   -0.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0414   -0.2455    1.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6821    0.6253   -1.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4405    1.3848    0.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7929   -0.8848    1.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966   -1.5585   -0.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7029   -1.1621   -0.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3038   -0.0755   -1.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9287    0.9205    1.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5396    1.8099   -0.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8426    2.2780    0.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860    1.4827   -1.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2273   -0.7479   -0.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241    0.0781    1.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4963    1.4624   -1.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7262    1.9263   -1.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3088   -1.6727   -0.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2690   -0.4251    0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0265   -1.4581    0.9158 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