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
-7.9734 2.2813 1.6417 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7368 1.8236 0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1807 0.4120 0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8699 0.3027 0.8963 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3618 -1.1093 0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1313 -1.5916 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1176 -0.7133 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7861 -0.7173 -0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8733 0.1913 -1.3228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5121 0.2815 -0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1907 -1.0303 -0.6143 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5639 -0.9425 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4274 -0.0346 -0.7984 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8252 0.1042 -0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5367 -1.2122 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9172 -1.0914 0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7575 -0.1829 -0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1401 -0.0546 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4457 -0.6881 1.1122 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0918 0.7247 -0.5263 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3790 0.8919 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7133 1.8471 0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8747 2.9472 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1401 2.8572 2.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2118 1.4386 2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7135 1.8363 -0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0727 2.5054 -0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1253 0.1192 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8910 -0.2864 0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1171 1.0345 0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0991 0.5045 1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1597 -1.7709 1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4801 -1.2408 1.4885 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8037 -2.6678 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0647 -1.5555 -1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9453 -1.1189 -2.2665 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5159 0.3041 -1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4147 -1.7513 -0.5174 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8574 -0.3482 0.4897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7240 -0.1841 -2.3676 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3455 1.1919 -1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0599 1.0212 -1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5979 0.6906 0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4385 -1.8001 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3605 -1.3756 -1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9846 -1.9770 -0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5005 -0.5371 1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9889 1.0043 -0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4236 -0.2842 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7380 0.5018 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 0.8527 -0.8708 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5033 -1.7473 -1.1477 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9422 -1.8602 0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8986 -0.7267 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3942 -2.0963 0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8491 -0.5968 -1.4863 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3403 0.8549 -0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1483 0.2289 -0.4464 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7121 1.9956 1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9605 2.5442 1.1348 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