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
-7.7783 -0.9970 0.9658 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8665 0.5331 0.9872 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7264 1.0299 1.8043 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4035 0.6122 1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1871 1.1408 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8548 0.7688 -0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6973 -0.7095 -0.8366 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3733 -1.1134 -1.4465 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1873 -0.6266 -0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0450 -1.0911 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3154 -0.7032 -0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4188 0.7615 -0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6266 1.2862 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9489 1.1230 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5511 -0.1712 -0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6967 -1.1668 0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5194 -0.7943 1.5636 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9226 -0.4902 1.3325 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6197 -0.1225 2.3117 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5406 -0.5805 0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8850 -0.2868 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3087 0.9205 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4478 -1.3924 1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0368 -1.3324 0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7840 -1.4438 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8547 0.8219 1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8365 0.9188 -0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8557 0.5903 2.8367 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7630 2.1371 1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5840 0.9910 1.9115 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3367 -0.4987 1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2102 2.2609 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0259 0.8882 -0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0533 1.2805 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8804 1.1755 -1.7773 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4836 -1.0892 -1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7705 -1.1694 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3364 -2.2061 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2532 -0.7132 -2.4681 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1803 -0.9812 0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2365 0.5011 -0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0268 -0.6894 -2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0426 -2.2007 -1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1927 -1.1738 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1517 -1.2248 -1.0633 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4769 1.1143 0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3277 1.2576 -1.5087 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5638 0.9716 1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4433 2.4186 0.2992 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9202 1.6936 -1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7079 1.7896 0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6403 0.0755 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1583 -0.6204 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2250 -2.0568 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7158 -1.6267 0.7089 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4927 -1.5960 2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9731 0.0580 2.0744 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6035 -1.0891 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5953 1.7142 -0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3478 1.1230 -0.5422 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