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
-3.5914 -2.7798 -0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5315 -2.2377 0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2546 -0.7894 1.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3944 0.0995 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0848 1.5295 0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1642 2.4557 -0.7147 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2097 2.3760 -1.8395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7996 2.7073 -1.6021 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9478 1.9169 -0.6828 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7499 0.5179 -1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0388 -0.4365 -0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3531 -0.2171 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6101 0.9100 1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1102 0.9935 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5591 -0.2408 2.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0252 -0.1143 2.4692 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8334 0.0788 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6686 -1.0481 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2930 -2.1382 0.4450 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8428 -1.0135 -0.8525 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7048 -2.0861 -1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7281 -2.9600 -1.4312 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9881 -3.7940 -0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5760 -2.9776 0.2383 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5488 -2.1924 -1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5642 -2.3139 0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4291 -2.8353 1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2079 -0.6455 1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9887 -0.4216 1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8279 -0.1876 -0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4799 0.0693 -0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8709 1.8295 1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1633 1.4545 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1257 3.5226 -0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2364 2.4310 -1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3354 1.3761 -2.3542 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6043 3.0962 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7902 3.7957 -1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2842 2.7057 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0720 2.0959 0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1074 2.4062 -0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7167 0.0859 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1106 0.6088 -2.0983 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0039 -1.4302 -0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6460 -0.7332 0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0131 -0.1267 -0.7537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7629 -1.1683 0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3098 1.9078 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0625 0.7151 2.0762 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2996 1.9172 1.9836 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6541 1.1617 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4584 -1.1325 1.3923 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9474 -0.5184 2.9674 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3293 -1.1203 2.8772 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2026 0.6449 3.2235 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5783 1.0565 0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9362 0.1036 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3265 -2.2250 -2.5791 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5397 -3.8349 -2.0534 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0808 -2.8505 -0.5747 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