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
   -5.2484    0.1346   -2.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7204    1.4449   -1.8535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5311    1.2736   -0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9899    0.6402    0.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8587    1.2275    1.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5239    1.3405    0.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8700    0.0271    0.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6896   -0.8637    1.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0699   -2.1823    1.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6833   -1.9593    0.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595   -1.2534    1.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5889   -1.0839    1.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6168   -0.2582   -0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8907   -0.1145   -0.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0644    0.4720   -0.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   -0.2263    0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9851    0.5192    1.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9515    0.5337    0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9979    1.2732    0.2272 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8076   -0.1805   -1.0236 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6462   -0.2076   -2.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7771    0.3849   -2.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5167   -0.7423   -1.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6448   -0.0568   -3.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1435    0.2279   -2.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9309    2.1872   -1.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4363    1.8762   -2.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4480    0.6584   -0.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9857    2.2934   -0.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8575    0.5984    1.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8446   -0.4600    0.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7426    0.7957    2.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1699    2.3032    1.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3697    2.0783   -0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8435    1.7168    1.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8557    0.3077   -0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3662   -0.5504   -0.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7221   -1.0989    1.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1702   -0.3582    2.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6597   -2.7644    0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9383   -2.8367    2.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2740   -2.9640    0.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8255   -1.3657   -0.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3042   -1.8304    2.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2342   -0.2535    1.8568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1457   -0.6016    1.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9358   -2.1072    0.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2423    0.7979    0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8224   -0.6557   -0.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6482    0.4019   -1.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1798   -1.1856   -1.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8121    1.5210    0.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7914    0.7610   -1.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -1.2800    0.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1222   -0.3028    1.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3894    0.0036    2.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6924    1.5395    1.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2920   -0.8602   -2.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2488    1.0360   -1.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3008    0.2279   -3.2518 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