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
   -6.9242    1.6571    1.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1967    2.8571    0.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7660    2.8482   -0.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3336    2.7193   -0.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6834    1.4594   -0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2240    1.4166   -0.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5776    0.1458   -0.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5805   -0.0203    1.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416   -1.3225    1.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4603   -1.3780    1.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1487   -2.6571    1.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5737   -2.8470    1.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0493   -2.8327   -0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9962   -1.5905   -1.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7833   -0.4646   -0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2236   -0.7830   -0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9539   -1.0457   -1.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4060   -1.3667   -1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9389   -0.2755   -0.4111 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0866    1.0028   -0.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6905    1.2638   -2.0182 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6735    2.0452   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7818    3.2641   -0.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7641    0.7098    1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8443    1.4964    2.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1391    1.8893    2.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7206    3.7455    1.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2965    3.1046    0.8383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1197    3.8451   -1.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3391    2.0873   -1.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7364    3.6024   -0.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2029    2.7616   -2.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6235    1.5102    0.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1609    0.5413   -0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    1.5252   -1.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7297    2.3063   -0.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0001   -0.7446   -0.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5064    0.1892   -0.8148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5736    0.0924    1.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9475    0.7950    1.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8777   -1.3018    2.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4872   -2.1793    1.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0027   -0.4561    1.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5922   -1.4131   -0.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0426   -2.8092    2.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4091   -3.5424    0.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1848   -2.0911    1.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -3.8434    1.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4810   -3.6118   -0.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0911   -3.2747   -0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5913   -1.7884   -1.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0555   -1.2338   -1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7322    0.3844   -1.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706   -0.1192    0.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6758    0.0567    0.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3900   -1.6871    0.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5309   -1.9117   -2.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8916   -0.1896   -2.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9572   -1.6568   -2.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3481   -2.2493   -0.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0143    1.8417    0.9805 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2137    4.0381    0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4246    3.4735   -1.5234 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