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
-7.3502 -0.8176 -0.8633 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9784 0.0807 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1519 0.6653 1.2099 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0528 1.5475 0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9564 0.9287 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3091 -0.1489 0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1769 -0.8447 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1031 0.1155 -0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9155 -0.5361 -0.9101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2584 -1.5486 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9132 -2.1842 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9438 -1.1691 -1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4604 -0.3401 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4633 0.6664 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6727 0.0799 -0.9816 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4436 -0.8430 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9576 -0.2539 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8605 0.8584 0.8824 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2154 1.5732 1.8838 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3217 1.1606 -0.3448 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1554 2.2164 -0.6096 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4506 2.1037 -0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1107 -1.6203 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2063 -0.2851 -1.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4655 -1.3705 -0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5471 0.9010 -0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8296 -0.4777 0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8148 1.2769 1.9217 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7713 -0.1373 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6412 2.0972 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4937 2.3617 0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2787 0.5905 -0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1562 1.7166 -0.2144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8666 0.3673 1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0291 -0.9001 1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5641 -1.3235 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8237 -1.6630 0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5402 0.7983 -1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7758 0.7719 0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1497 -0.9191 -1.9169 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1833 0.3045 -1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9861 -2.3676 0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 -1.0243 0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6549 -2.8519 -1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4177 -2.8285 0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8159 -1.7279 -1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4931 -0.4847 -1.8034 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5873 0.1976 0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8330 -1.0514 0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9911 1.3389 -1.1305 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6954 1.3678 0.4825 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3415 0.8496 -1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3507 -0.5247 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2817 -1.2504 -0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8353 -1.7541 0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4600 -1.0492 1.7963 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1359 0.1627 1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6885 3.1422 -0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8841 1.1434 -0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0936 2.9130 -0.7165 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