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
    8.6124    1.1327   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1294    1.4460   -0.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5227    1.2014    1.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0574    1.4711    1.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990    0.5650    0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4950   -0.8534    0.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280   -1.8391   -0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4866   -1.9140   -0.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9351   -0.7899   -1.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5013   -0.8312   -1.9469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5899   -0.7466   -0.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7265   -1.7369    0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069   -1.4844    0.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2065   -1.6278    0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5004   -1.4063    0.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5542   -0.0278    1.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4764    1.0557    0.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5901    0.9955   -0.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8738    1.1196   -0.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3544    2.2051    0.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5445    3.1620    0.8057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6813    2.2997    1.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5652    1.3281    1.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1422    2.0977   -0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8519    0.5912    0.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9760    0.5464   -1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9539    2.4986   -0.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6736    0.8138   -1.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8029    0.2187    1.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0006    1.9580    1.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6756    1.3272    2.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8633    2.5008    0.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2239    0.8137    0.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4252    0.8875   -0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5960   -1.1214    0.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280   -1.0713    1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1990   -2.9137   -0.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5059   -1.8370   -1.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3509   -2.8697   -1.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9404   -2.1173    0.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4731   -0.9024   -2.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2156    0.2251   -1.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3390   -1.7243   -2.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3434    0.0467   -2.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310    0.2852   -0.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417   -0.6069   -1.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0672   -1.5722    0.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7124   -2.7936   -0.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9675   -2.2243    1.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9076   -0.4891    1.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2588   -2.7146   -0.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2343   -1.0710   -0.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3279   -1.6298    0.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5027   -2.1378    1.6535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7060    0.0995    2.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4661    0.1430    2.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5103    2.0306    0.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5181    1.0358   -0.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4393    1.8661   -1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5615    0.1004   -1.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9893    3.1773    1.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5641    1.3861    1.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3060    0.4224    0.4867 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