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
-6.7124 0.4050 -2.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4962 0.1048 -0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6562 0.0972 0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9882 1.4125 0.6608 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1699 1.3837 1.9127 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0970 0.3353 1.8276 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1953 0.6493 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0892 -0.4139 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2299 -0.0423 -0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1001 -0.9962 -0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7865 -1.0142 0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9542 -1.9914 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8034 -1.9961 1.3869 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3820 -0.7247 1.7917 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3769 0.0264 1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0510 0.4932 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1626 1.3481 -0.9707 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3722 0.5397 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3865 -0.6929 -0.9163 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5943 1.0786 -1.5456 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7282 0.2909 -1.6943 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8380 0.8959 -2.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8059 -0.2273 -2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3651 0.1163 -2.9591 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5030 1.4837 -2.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2996 0.8586 -0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9971 -0.8747 -0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9000 -0.7039 0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3302 -0.1183 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7751 2.2223 0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3855 1.7205 -0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6344 2.3696 2.0398 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7852 1.2783 2.8309 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4509 0.4271 2.7395 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4828 -0.7011 1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7213 0.5937 -0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7044 1.6246 0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6054 -1.3790 0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5541 -0.4282 1.5108 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8927 0.0016 -1.5154 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8214 0.9727 -0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4005 -1.9963 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5304 -0.5726 -1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2710 -1.3329 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1985 -0.0047 0.4897 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4196 -1.7629 -0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4853 -3.0281 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5562 -2.8441 1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 -2.3412 2.2543 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7944 -0.8081 2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5431 0.0506 2.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7225 0.9317 1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3352 -0.5907 1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0221 -0.4357 -1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1171 1.0516 -0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3255 2.2655 -0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8499 1.7015 -1.9729 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7451 -0.7602 -1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7748 0.3470 -2.2272 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8949 1.9558 -2.2902 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