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
    8.4804    1.7957   -0.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9241    0.3908   -0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1518   -0.2684    0.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7074   -0.4885    0.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8409    0.6928    0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4003    0.1286    0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4732    1.2758   -0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0365    0.8114   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5584    0.0990    1.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1061   -0.3072    0.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0254   -1.2151   -0.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5038   -1.6276   -0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0042   -2.3600    0.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3752   -2.8865    0.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5654   -2.0528    0.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8258   -1.1707   -0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2122   -0.4717   -0.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4333    0.4179   -1.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6693    1.0799   -1.4986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0458    1.9542   -0.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1894    2.1789    0.4193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3387    2.6064   -0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6181    3.4238    0.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3831    2.4865   -0.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8862    2.2138    0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0032    1.9076   -1.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0311    0.4260   -0.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8885   -0.2195   -1.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3263    0.2401    1.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6536   -1.2753    0.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2962   -1.0181    1.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5674   -1.1900   -0.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8103    1.3956    1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9906    1.1707   -0.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3578   -0.6323   -0.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1224   -0.3657    1.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724    2.0104    0.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7170    1.8385   -0.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3595    1.6694   -0.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9670    0.0996   -1.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6163    0.7638    1.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708   -0.7927    1.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5317    0.6171    0.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2197   -0.7140    1.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1851   -0.6423   -1.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5946   -2.1134   -0.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5575   -2.2879   -1.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967   -0.7010   -0.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3192   -3.2731    0.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7801   -1.8226    1.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5392   -3.5819    1.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4205   -3.6878   -0.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7264   -1.4328    1.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4790   -2.7489    0.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1133   -0.3005   -0.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8985   -1.7157   -1.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9686   -1.2831   -0.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2186    0.0826    0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5798    1.1253   -1.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4134   -0.2405   -2.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0502    2.4123   -1.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8966    3.6249    1.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5625    3.9481    0.6297 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