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
-8.4920 1.2853 -1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2110 -0.2029 -1.3118 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8904 -0.4958 -0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7516 0.2109 -1.2346 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4571 -0.0915 -0.5287 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4548 0.3403 0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1567 0.0207 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0182 0.7133 0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6924 0.4223 1.6389 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3566 1.1867 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6908 0.9795 1.4686 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0622 -0.4687 1.4999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1159 -1.0458 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0910 -0.3742 -0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5047 -0.4301 -0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9354 -1.8500 -0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3604 -1.9747 0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2450 -1.3065 -0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6087 -1.8613 -1.6464 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6806 -0.0341 -0.3170 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4974 0.7109 -1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8464 1.9230 -0.7597 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5898 1.4688 -1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2338 1.7575 -2.2669 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9466 1.7632 -0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1576 -0.6217 -2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0527 -0.6983 -0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7781 -1.5935 -0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0216 -0.0723 0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6051 -0.1292 -2.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8632 1.3119 -1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3216 -1.2085 -0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6115 0.3961 -1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3140 -0.1623 1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6870 1.4416 0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9600 -1.0758 1.5695 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1727 0.3670 2.6589 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9281 0.3108 -0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2290 1.7978 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5468 -0.6571 1.6012 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7748 0.7617 2.6766 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0757 2.2747 0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3477 0.7970 -0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4342 1.5795 0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6391 1.3631 2.5355 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0317 -0.5790 2.0503 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3444 -1.0825 2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3898 -2.1332 0.1394 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1074 -0.9975 -0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0858 -0.9549 -1.7449 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7870 0.6557 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1258 0.1429 -0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5977 0.1488 0.6989 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7824 -2.3865 -1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3064 -2.3362 0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6019 -3.0629 0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4074 -1.4820 1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8567 0.3136 -2.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5106 2.3830 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4916 2.5413 -1.3700 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