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
-8.2664 -1.2352 -1.4838 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0480 -1.4434 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2964 -0.2972 0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9141 -0.1531 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1536 0.9741 0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8110 1.1329 -0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9549 -0.0876 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6255 0.1181 -0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9154 1.2813 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4561 1.4999 -0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3393 0.2973 -0.5168 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6639 0.5960 -1.1882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4134 1.7347 -0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8123 1.8155 0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7230 0.7922 1.3109 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2143 -0.5951 1.3373 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2802 -1.5023 1.9826 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4996 -1.4791 1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5795 -1.9687 1.6406 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6023 -0.9840 -0.1124 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6773 -0.9234 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9007 -1.3287 -0.7582 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6946 -1.9981 -2.0852 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9917 -0.2166 -1.8409 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3245 -1.3725 -1.7914 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0132 -1.5853 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4483 -2.3728 0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1266 -0.4663 1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8441 0.6563 0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1050 0.0204 -1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3958 -1.1154 0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9627 0.8151 1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6935 1.9430 0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3406 2.0376 0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9848 1.3112 -1.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4802 -0.9842 -0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7047 -0.2580 1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0188 -0.8224 -0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8295 0.3135 -1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7199 1.1265 1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4767 2.2245 -0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9171 2.4017 -0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2547 1.6594 -1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8895 -0.5356 -1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4198 -0.0855 0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2909 0.9882 -2.2377 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2030 -0.2971 -1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7979 2.6693 -0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3234 1.8717 -1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9201 1.8498 1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2991 2.8268 0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7435 0.8719 0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9619 1.1378 2.3726 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1045 -1.0002 0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2519 -0.7094 1.8793 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8013 -2.5215 2.0034 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4360 -1.1365 3.0113 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4606 -0.4582 -1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2595 -1.7957 0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6436 -1.2044 -1.5370 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