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
9.1580 0.8009 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9852 0.9526 -0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9537 -0.2088 0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7900 -0.0600 1.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4535 -0.0260 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3988 0.1217 1.7644 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0066 0.1680 1.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6765 -1.0738 0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2857 -1.0408 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2649 -0.8991 0.8744 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1651 -0.8660 0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3529 0.3091 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7673 0.4127 -1.0599 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7211 0.5687 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1456 0.7089 -0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5344 -0.5096 -1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9417 -0.4489 -1.7457 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9124 -0.3462 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6072 -0.3688 0.5896 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2893 -0.2122 -0.9163 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.1676 -0.1193 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4812 1.0521 0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2196 1.7321 -2.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1215 0.6795 -0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9794 -0.0489 -2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1184 1.8854 0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0888 0.9962 -1.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7900 -1.1691 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9122 -0.2464 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9180 0.8448 2.0198 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8363 -0.9324 2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3325 -0.9756 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4303 0.8072 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5309 -0.7150 2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5784 1.0838 2.2712 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9213 1.1000 0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3214 0.2758 2.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7121 -1.9268 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3812 -1.1542 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2184 -0.3253 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1206 -2.0563 -0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4218 0.0891 1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3377 -1.7249 1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4698 -1.8265 -0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7801 -0.6884 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6115 0.3964 -1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1932 1.2246 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8042 1.3494 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9118 -0.4643 -1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6478 -0.2771 0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4809 1.5426 0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7633 0.9345 0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1514 1.6199 -1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8277 -0.7826 -2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5358 -1.3864 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0715 0.4263 -2.4483 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1153 -1.3667 -2.3552 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6008 -1.0052 0.5503 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0501 1.9752 0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1629 1.1941 1.4587 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