Monomers

Vinyl stearate

Identifiers

IUPAC name
ethenyl octadecanoate
InchI
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h4H,2-3,5-19H2,1H3
InchI Key
AFSIMBWBBOJPJG-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)OC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C20H38O2
Heavy Atom Count
22
Molecular Weight
310.522
Exact Molecular Weight
310.2872
Valence Electrons
130
Radical Electrons
0
tPSA
26.3
MolLogP
6.9346
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

 60 59  0  0  0  0  0  0  0  0999 V2000
   -7.5824    2.5594   -0.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0926    2.7093   -0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5877    1.3966   -1.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9042    0.3140   -0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4728   -1.0459   -0.5756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9888   -1.1574   -0.8203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2789   -0.8469    0.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7524   -0.9179    0.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2854   -2.2592   -0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445   -2.4678   -0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1708   -2.2850    0.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4377   -0.9693    1.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5635   -1.0193    2.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8169   -1.4853    1.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2433   -0.5638    0.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4658    0.8299    1.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8684    1.7515   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1408    1.3800   -0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8418    0.4342   -0.2471 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6086    2.1054   -1.7637 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8124    1.7244   -2.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9406    2.2555   -1.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0131    1.8867   -1.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0437    3.5634   -0.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7771    2.0991    0.7127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8259    3.5748   -1.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5882    2.7843    0.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1472    1.2426   -2.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5266    1.4984   -1.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0170    0.3340    0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4777    0.5483    0.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8182   -1.8111    0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0324   -1.2677   -1.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6500   -0.6028   -1.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8048   -2.2469   -1.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4786    0.2226    0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6319   -1.5004    1.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3582   -0.1455   -0.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4477   -0.6593    1.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7338   -3.0523    0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8068   -2.4825   -1.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3217   -3.5356   -0.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4966   -1.8648   -1.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1457   -2.6707    0.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0457   -3.0140    1.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334   -0.4453    1.8465 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7883   -0.2474    0.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2948   -1.7137    3.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6191   -0.0207    2.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6214   -1.4135    2.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7705   -2.4995    1.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2171   -1.0144    0.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5714   -0.6689   -0.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5549    1.2572    1.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3164    0.8168    1.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9813    2.7909    0.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0637    1.8438   -0.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7873    0.9930   -3.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9081    1.9957   -2.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9316    2.9829   -1.1096 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  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  3
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  5 33  1  0
  6 34  1  0
  6 35  1  0
  7 36  1  0
  7 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  0
  9 41  1  0
 10 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  0
 13 49  1  0
 14 50  1  0
 14 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  0
 16 55  1  0
 17 56  1  0
 17 57  1  0
 21 58  1  0
 22 59  1  0
 22 60  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers