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
-8.3886 -0.0355 1.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2320 0.2879 0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4473 -0.9667 0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3271 -0.6294 -0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4296 0.3839 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2675 0.7334 -1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3827 1.7594 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7368 1.4509 0.8647 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8600 0.3368 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4189 0.1227 0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2218 -0.1469 -1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3280 -0.3632 -1.9669 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3054 -1.4393 -1.8736 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1844 -1.5385 -0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0315 -0.3370 -0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9673 0.0430 -1.4953 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7875 1.2601 -1.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6415 1.0666 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3290 2.0330 0.5047 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7764 -0.1271 0.6932 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5773 -0.2961 1.7984 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8370 -0.6630 1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3064 -0.1598 0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2185 -0.9456 2.0412 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5739 0.8468 2.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6408 0.7760 -0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6083 1.0272 1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9941 -1.3369 1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1401 -1.7355 -0.2059 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7785 -1.5265 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7899 -0.1498 -1.6295 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9226 1.3529 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9752 0.0346 0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7848 -0.1887 -1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7435 1.1789 -1.9292 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1679 2.5934 -0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8341 2.3081 -1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1598 2.4025 1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5586 1.4765 1.6749 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5233 0.4317 2.2224 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3576 -0.6746 1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0361 1.0497 0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9144 -0.7197 0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4946 -1.0430 -1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3524 0.7383 -1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9328 0.6067 -2.1208 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8544 -0.4433 -3.0167 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8082 -2.4512 -2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9529 -1.3462 -2.8154 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6539 -1.8393 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8886 -2.4314 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3449 0.5409 -0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5257 -0.5085 0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5112 0.0951 -2.5033 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7132 -0.8043 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0674 2.0827 -0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4076 1.5908 -2.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1805 -0.1289 2.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4906 -0.8025 2.5426 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3077 -0.8524 0.7110 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