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
   -9.4060   -0.7752   -1.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6485   -0.1020   -0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2546    0.3305   -0.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5911    0.9876    0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1921    1.4726    0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3256    0.3211   -0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9165    0.7358   -0.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2278    1.3750    0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1537    0.4365    1.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4164   -0.8308    1.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0182   -0.4848    1.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7742   -1.7385    0.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793   -1.4429    0.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996   -0.6893    1.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3470   -0.4068    1.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4926    0.4227   -0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9675    0.6574   -0.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7470   -0.6153   -0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1050   -0.3877   -0.8729 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6205    0.3390   -1.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8080    0.8282   -2.7432 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0347    0.5456   -2.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8966    0.0382   -1.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6920   -1.2337   -2.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0969   -0.0625   -1.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9985   -1.6245   -1.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5786   -0.7579    0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2151    0.8098   -0.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3942    1.0963   -1.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7162   -0.5613   -1.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4881    0.2543    1.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2040    1.8266    0.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2030    2.2374   -0.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8118    1.9357    1.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208   -0.4770    0.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7430   -0.0952   -1.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3485   -0.1791   -0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8884    1.4139   -1.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2183    1.6925    0.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7900    2.2760    0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2127    0.1908    1.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6968    1.0117    2.5433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8261   -1.4259    0.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -1.4118    2.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0651    0.1497    0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5015    0.0423    1.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -2.3372   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8188   -2.3465    1.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7782   -2.3793    0.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2078   -0.8383   -0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8714   -1.2457    2.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    0.3003    1.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545    0.0528    1.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8175   -1.4175    0.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0456    1.4256   -0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0162   -0.1300   -1.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3647    1.1095    0.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1579    1.4051   -1.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2427   -1.2243   -1.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7187   -1.2447    0.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3705    1.1158   -2.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9462    0.1809   -1.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5876   -0.5517   -0.4391 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