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
-9.0114 -0.9437 1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5077 0.4057 0.7379 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9830 0.4155 0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4742 -0.6448 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9648 -0.7301 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4259 0.5938 -0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8917 0.5756 -0.6274 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4752 1.9528 -1.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9671 2.0817 -1.1838 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3861 1.0906 -2.1456 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1034 1.2668 -2.2053 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7156 1.0545 -0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3913 -0.3497 -0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0078 -0.5663 0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5101 -0.4031 0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0786 -1.4090 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5743 -1.2616 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1745 -1.4980 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6035 -1.3947 1.2115 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2313 -0.2380 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5615 0.7708 0.5478 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7021 -0.1126 0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4602 -1.1506 1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9287 -1.7051 0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4384 -1.2504 2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1024 -0.8731 1.3944 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8529 1.1364 1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8714 0.7110 -0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6895 1.4361 0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7161 0.2619 1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8591 -1.6279 0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8373 -0.4072 -1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5930 -1.5011 -0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5765 -0.9139 0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6650 1.3424 0.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7677 0.9191 -1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6158 -0.2236 -1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5664 0.3435 0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9555 2.1348 -2.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8227 2.6695 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7516 3.0952 -1.5797 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5485 2.0346 -0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6700 0.0384 -1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7658 1.3810 -3.1676 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2896 2.3191 -2.5183 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5316 0.5811 -2.9763 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8262 1.1842 -0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4298 1.7954 -0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 -0.4078 -0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6372 -1.1133 -1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6043 0.2274 1.6283 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7225 -1.5659 1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8234 0.6193 0.6654 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8891 -0.6255 1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6367 -1.2318 -1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7788 -2.4498 0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9791 -2.0185 -0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7655 -0.2328 -0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8436 -0.7255 1.9877 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8566 -2.4767 1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1695 0.7986 0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9971 -2.0880 1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5186 -1.0963 1.1203 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