Monomers

Octadecyl acrylate

Identifiers

IUPAC name
octadecyl prop-2-enoate
InchI
InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3
InchI Key
FSAJWMJJORKPKS-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=C
Canonical SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C21H40O2
Heavy Atom Count
23
Molecular Weight
324.549
Exact Molecular Weight
324.3028
Valence Electrons
136
Radical Electrons
0
tPSA
26.3
MolLogP
6.9771
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

 63 62  0  0  0  0  0  0  0  0999 V2000
   -8.8526    0.0250   -1.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7105   -0.6769   -0.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5219    0.2428    0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4109    1.1939    0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0087    0.7433    0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5431    0.0056   -0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0611   -0.3895   -0.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1831    0.8029   -0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7298    0.3369   -0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4468   -0.5666    0.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0123   -0.9967    0.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9171    0.1640    0.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625   -0.3037    0.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2455    0.9055    1.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7059    0.5794    1.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1416   -0.1487   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6284   -0.4096   -0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2098   -1.1225   -1.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5824   -1.3381   -1.0518 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5538   -0.3903   -0.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1986    0.8164   -0.9049 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9572   -0.6980   -0.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8137    0.2855   -0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5646   -0.4977   -2.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1826    1.0511   -1.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8728    0.0202   -2.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7937   -1.0955   -0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1353   -1.5975   -0.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3903   -0.4252    1.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4798    0.8217    0.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5126    1.7948    1.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5742    1.9579   -0.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3194    1.6230    0.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8420    0.1160    1.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0650   -0.9415   -0.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6764    0.6549   -1.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8034   -1.0195   -1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0083   -1.0517    0.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4086    1.3444    0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3046    1.4378   -1.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1057    1.2614   -0.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4951   -0.1844   -1.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6607   -0.0232    1.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0706   -1.4867    0.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1962   -1.5265   -0.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2303   -1.6998    1.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8199    0.8435    0.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7177    0.7266    1.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5908   -0.8199   -0.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5769   -0.9659    1.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    1.6073    0.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0337    1.4969    1.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0241    0.0327    1.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2570    1.5543    1.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5954   -1.1139   -0.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9014    0.4148   -1.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1058    0.5803    0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7516   -1.0453    0.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7218   -2.1072   -1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1166   -0.5530   -2.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3234   -1.7081   -0.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5140    1.3376   -0.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8744    0.1246   -0.3474 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  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  3
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
  7 38  1  0
  8 39  1  0
  8 40  1  0
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 11 45  1  0
 11 46  1  0
 12 47  1  0
 12 48  1  0
 13 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 16 56  1  0
 17 57  1  0
 17 58  1  0
 18 59  1  0
 18 60  1  0
 22 61  1  0
 23 62  1  0
 23 63  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers