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
-8.9204 -1.0015 1.3016 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7082 -0.0746 1.1523 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1733 0.3230 2.4868 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9952 1.2391 2.3293 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9185 0.5432 1.5726 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6835 1.4413 1.3952 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6932 0.5790 0.6089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4107 1.3078 0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4879 0.4128 -0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1489 -0.8599 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7739 -1.7284 -0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0996 -1.0483 -0.8366 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8264 -0.6817 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1777 -0.0252 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9849 1.2009 -0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1876 1.9832 -1.1124 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1493 1.2590 -1.9686 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8572 0.1810 -1.2865 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0573 0.2494 -0.0422 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3296 -0.9452 -1.9781 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9914 -1.9200 -1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4720 -3.0102 -1.8151 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1625 -1.3182 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6123 -1.9117 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7779 -0.4872 1.7344 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9592 -0.7057 0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0141 0.8067 0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9468 -0.5571 3.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9518 0.8953 3.0457 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5625 1.5347 3.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3358 2.1274 1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6161 -0.3650 2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1914 0.2252 0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3230 1.6393 2.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9483 2.3632 0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4738 -0.2779 1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2083 0.2642 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5339 2.2455 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9259 1.5311 1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8692 0.2227 -1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4703 0.9725 -0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0485 -1.4838 0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3108 -0.5907 1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0337 -2.6197 0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2811 -2.0852 -1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7068 -1.8086 -1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8932 -0.1548 -1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2466 0.0131 1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0908 -1.5888 0.9874 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6926 0.2093 1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7418 -0.8403 -0.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2698 1.8538 -0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4082 1.0254 -1.6643 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6749 2.3420 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8023 2.9202 -1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9252 2.0191 -2.3122 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6803 0.8973 -2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1436 -1.8280 -0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9854 -3.7832 -1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3368 -3.1267 -2.8760 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