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
   -7.4018    2.6093   -0.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2215    1.5500    0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1112    0.1895   -0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7912   -0.4849   -0.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6792    0.1821   -0.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4194   -0.6876   -0.9046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9602   -0.9270    0.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7429   -1.7795    0.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6073   -1.1384   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3650   -2.0485   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759   -1.4038   -0.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1667   -0.0616   -0.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3126    0.5563   -1.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5489   -0.2928   -1.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0767   -0.5505    0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3267   -1.4208    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9736   -1.7493    1.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5063   -0.6879    2.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5258    0.1133    1.9023 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6186    1.0456    0.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6377    1.3351    0.2399 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8788    1.7634    0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9634    2.6826   -0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5542    2.9949    0.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0294    3.5565   -0.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1087    2.3560   -1.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0538    1.5569    1.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3053    1.8757    0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4756    0.2734   -1.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8523   -0.5238    0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5499   -0.7319    0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9369   -1.4915   -0.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3622    1.1366   -0.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8812    0.4030   -2.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5439   -1.6330   -1.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5941   -0.1001   -1.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7477   -1.4389    1.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7279    0.0377    1.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0175   -2.7566    0.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4410   -2.0521    1.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8135   -0.9079   -1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3550   -0.1987    0.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0988   -2.2215    0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5696   -3.0248   -0.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4223   -1.3007   -1.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6212   -2.1063   -0.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2963    0.6358   -0.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3107   -0.1224    0.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9861    0.6512   -2.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5427    1.5720   -0.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4395   -1.2463   -1.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3377    0.2798   -1.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2270    0.3421    0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3699   -1.2024    0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0009   -2.4252   -0.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0466   -1.0554   -0.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8742   -2.4028    1.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2888   -2.4575    2.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8736   -1.2243    3.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6578   -0.0546    2.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7297    1.5223    1.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1114    2.9428   -0.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8698    3.2277   -0.4379 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