Monomers
Octadecyl acrylate
Identifiers
IUPAC name
octadecyl prop-2-enoate
InchI
InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3
InchI Key
FSAJWMJJORKPKS-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=C
Canonical SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C21H40O2
Heavy Atom Count
23
Molecular Weight
324.549
Exact Molecular Weight
324.3028
Valence Electrons
136
Radical Electrons
0
tPSA
26.3
MolLogP
6.9771
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
63 62 0 0 0 0 0 0 0 0999 V2000
-5.2678 -1.3755 1.5124 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2406 -0.4411 2.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7518 0.9091 2.4989 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2845 1.8077 1.4262 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1295 1.3578 0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8434 2.4441 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7230 2.1937 -1.3462 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8012 1.0985 -2.3223 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9255 -0.2981 -1.8975 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9516 -0.9009 -0.9745 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5287 -1.0387 -1.3466 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2666 0.1803 -1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7238 -0.1726 -1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3634 -0.8003 -0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8163 -1.2284 -1.0513 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2569 -1.7928 0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6288 -2.3393 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7195 -1.3783 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8000 -0.2399 0.7896 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9579 -0.1849 2.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0209 -1.2622 2.7883 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0529 1.1393 2.8345 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0254 2.2336 2.3911 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5204 -1.5100 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3952 -2.4368 1.9299 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2293 -1.1354 1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2215 -0.4072 1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5543 -0.9387 3.1245 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6136 1.4417 3.0173 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9997 0.8050 3.3326 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0897 2.1120 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9644 2.7715 1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1864 1.2575 1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3644 0.4609 0.0429 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7616 2.6779 -1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6826 3.4224 0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5486 3.1696 -1.9172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7870 2.0728 -0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8289 1.3099 -2.8696 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1239 1.2842 -3.1994 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7271 -0.8836 -2.9276 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9848 -0.6155 -1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0141 -0.4714 0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3148 -1.9771 -0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4360 -1.7947 -2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0524 -1.6271 -0.4882 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2923 0.8018 -0.6848 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1227 0.8673 -2.3915 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2265 0.7665 -2.3104 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6990 -0.8197 -2.8868 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8451 -1.6795 -0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4135 -0.0577 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4446 -0.3767 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8704 -1.9762 -1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5652 -2.6093 0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1441 -0.9778 1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7302 -3.3025 -0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7912 -2.6660 1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5738 -1.0137 -1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6916 -1.9305 -0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1664 0.9813 3.9533 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0007 3.2262 1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8840 1.8672 1.0748 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 1 0
19 20 1 0
20 21 2 0
20 22 1 0
22 23 2 3
1 24 1 0
1 25 1 0
1 26 1 0
2 27 1 0
2 28 1 0
3 29 1 0
3 30 1 0
4 31 1 0
4 32 1 0
5 33 1 0
5 34 1 0
6 35 1 0
6 36 1 0
7 37 1 0
7 38 1 0
8 39 1 0
8 40 1 0
9 41 1 0
9 42 1 0
10 43 1 0
10 44 1 0
11 45 1 0
11 46 1 0
12 47 1 0
12 48 1 0
13 49 1 0
13 50 1 0
14 51 1 0
14 52 1 0
15 53 1 0
15 54 1 0
16 55 1 0
16 56 1 0
17 57 1 0
17 58 1 0
18 59 1 0
18 60 1 0
22 61 1 0
23 62 1 0
23 63 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers