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
-3.7219 4.4888 0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7840 3.0460 0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7552 2.3146 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8777 0.8693 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5201 0.1447 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7815 -1.2715 0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7192 -2.2571 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8496 -2.5356 -0.7863 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9027 -1.4645 -1.2141 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1260 -1.9436 -2.4206 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6463 -3.1783 -2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6211 -2.9784 -1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5744 -1.8623 -1.3922 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5758 -1.6632 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4882 -0.5288 -0.7399 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5087 -0.2727 0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8907 0.1277 1.5971 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1183 1.3954 1.4878 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1264 2.0181 0.4069 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3937 1.9182 2.5195 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6488 3.0524 2.5615 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4258 3.9368 1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7448 4.9726 0.3955 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9811 4.6531 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4822 5.0403 0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1261 2.9971 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7736 2.6066 0.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4438 2.4652 -1.3644 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7594 2.7749 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5562 0.3740 -0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2479 0.7178 1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7261 0.5744 0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2684 0.1970 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3641 -1.3225 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5689 -1.7158 -0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0907 -2.1157 1.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2458 -3.2582 0.6103 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2618 -3.5023 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4369 -2.8399 -1.7135 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1168 -1.3124 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3326 -0.4738 -1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8741 -2.1240 -3.2457 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5350 -1.1110 -2.8065 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0343 -4.0747 -1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2773 -3.4278 -3.0713 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2175 -3.9227 -0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1343 -2.7295 -0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0662 -0.9073 -1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1499 -2.1315 -2.2961 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1071 -2.5952 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9873 -1.3903 0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9722 -0.8357 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8322 0.2967 -0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2195 0.4944 -0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0797 -1.2261 0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2543 -0.6798 1.9872 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7534 0.2685 2.3214 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1466 3.2741 3.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8484 3.8402 0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8058 4.7929 1.8159 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