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
   -8.3835   -1.8654    0.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0994   -1.0385    0.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7222   -0.9530   -0.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4674   -0.1540   -1.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3177   -0.7739   -0.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9987    0.0086   -0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1234    1.3913   -0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9275    2.2322   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3294    2.5660   -1.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    1.5578   -2.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3610    0.7970   -1.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4653    1.7002   -1.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5399    0.8810   -0.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9800    0.1647    0.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0076   -0.6753    1.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0891    0.2069    2.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1475   -0.4885    2.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9800   -1.5225    2.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8064   -1.2173    1.1043 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6017   -0.8114   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4385   -0.6544   -0.5680 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6904   -0.5277   -1.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9635   -0.6533   -0.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8723   -1.6936    1.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0685   -2.9261    0.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0197   -1.5714   -0.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3173   -1.4619    1.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3189   -0.0176    1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5696   -1.9962   -1.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5463   -0.4538   -1.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2071   -0.0980   -2.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6869    0.8884   -0.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1342   -1.7731   -0.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4453   -0.9110    0.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2434   -0.5856   -0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8406   -0.0323   -1.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5212    1.3885    1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9434    1.8943   -0.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1464    3.2104    0.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1394    1.6935    0.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4975    3.3473   -1.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0716    3.1602   -2.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1964    2.1601   -3.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3857    0.8755   -2.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7019   -0.0119   -2.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1528    0.3845   -0.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0578    2.4415   -0.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8780    2.3226   -1.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021    0.1593   -1.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4380    1.5054   -0.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4123    0.7958    1.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2253   -0.5782    0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3056   -1.4829    0.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4415   -1.0420    2.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330    0.9197    2.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5303    0.9210    1.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    0.2772    3.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6538   -0.8756    3.7395 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6768   -1.9008    2.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3869   -2.4795    1.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4212   -0.2078   -2.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7024   -0.4326   -1.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2189   -0.9837    0.2200 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