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
8.4804 1.7957 -0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9241 0.3908 -0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1518 -0.2684 0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7074 -0.4885 0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8409 0.6928 0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4003 0.1286 0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4732 1.2758 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0365 0.8114 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5584 0.0990 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1061 -0.3072 0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0254 -1.2151 -0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5038 -1.6276 -0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0042 -2.3600 0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3752 -2.8865 0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5654 -2.0528 0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8258 -1.1707 -0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2122 -0.4717 -0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4333 0.4179 -1.5923 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6693 1.0799 -1.4986 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0458 1.9542 -0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1894 2.1789 0.4193 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3387 2.6064 -0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6181 3.4238 0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3831 2.4865 -0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8862 2.2138 0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0032 1.9076 -1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0311 0.4260 -0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8885 -0.2195 -1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3263 0.2401 1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6536 -1.2753 0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2962 -1.0181 1.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5674 -1.1900 -0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8103 1.3956 1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9906 1.1707 -0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3578 -0.6323 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1224 -0.3657 1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4724 2.0104 0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7170 1.8385 -0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3595 1.6694 -0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9670 0.0996 -1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6163 0.7638 1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1708 -0.7927 1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5317 0.6171 0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2197 -0.7140 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1851 -0.6423 -1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5946 -2.1134 -0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5575 -2.2879 -1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9967 -0.7010 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3192 -3.2731 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7801 -1.8226 1.6353 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5392 -3.5819 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4205 -3.6878 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7264 -1.4328 1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4790 -2.7489 0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1133 -0.3005 -0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8985 -1.7157 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9686 -1.2831 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2186 0.0826 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5798 1.1253 -1.6971 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4134 -0.2405 -2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0502 2.4123 -1.2297 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8966 3.6249 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5625 3.9481 0.6297 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