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
   -6.0192   -1.5091    0.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1074   -0.5035    0.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1812   -0.0147   -0.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8930    0.6693   -1.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5687    1.8514   -0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3325    2.5287   -0.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    1.5796   -0.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9432    1.0888    0.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8654    0.1733    0.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4265    0.5260    0.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1736    0.9556   -0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5840    1.2446   -0.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6991    0.3143   -0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8783   -0.3171    0.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1505   -1.1892    0.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0149   -2.2977   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1536   -3.2100   -0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3998   -2.8455   -0.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1178   -1.7551   -0.3996 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9838   -0.4301   -0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0104   -0.0901   -1.4371 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8921    0.5978   -0.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7303    1.8653   -0.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3816   -1.7126    0.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3437   -1.1862    1.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5065   -2.4405    1.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1074   -0.9149    0.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9779    0.3851    1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4114   -0.7888   -1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9707    0.7581   -0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1173   -0.1009   -1.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0196    1.0198   -2.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4803    1.6440    0.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4191    2.5989   -0.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1207    3.4418   -0.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4669    2.8536   -1.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2978    2.0409   -1.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3703    0.6700   -1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9995    1.9224    1.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9152    0.5164    0.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0692   -0.2818    2.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9823   -0.8071    0.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3343    1.3795    1.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0879   -0.2987    1.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3706    1.9639   -0.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1998    0.3077   -1.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8401    2.1159    0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7306    1.7919   -1.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6476    0.9568   -0.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8016   -0.3594   -1.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9169    0.4563    1.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0871   -1.0474    1.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9861   -0.5182    0.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1332   -1.6373    2.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0901   -2.9227    0.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7367   -1.8986   -1.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3512   -3.5361    1.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285   -4.1848   -0.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1245   -3.7468   -0.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485   -2.8350   -1.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7574    0.3570    0.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950    2.1714   -1.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3857    2.6341   -0.2418 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