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
9.3825 0.4213 1.4441 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0809 -0.7943 0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6468 -0.8317 0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2986 0.3444 -0.7183 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8786 0.2956 -1.2016 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8992 0.2842 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4660 0.2437 -0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4859 0.2326 0.5991 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0907 0.1917 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0238 0.1770 0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3463 0.0925 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5305 1.2801 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7766 1.4558 -1.3157 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0244 1.6887 -0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4788 0.6226 0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6478 -0.7150 -0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0807 -1.7401 0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3938 -1.3445 1.3052 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3558 -1.2311 0.2763 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.6841 -0.8763 0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9908 -0.6581 1.7150 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.6568 -0.7674 -0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3656 -0.9877 -1.8193 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4087 0.3207 1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3563 1.3225 0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6340 0.5118 2.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2248 -1.7089 1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8172 -0.8586 -0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5383 -1.7570 -0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0095 -0.9184 1.0104 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9446 0.3756 -1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4977 1.3147 -0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7379 1.2093 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7316 -0.6161 -1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0109 1.2574 0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0796 -0.5768 0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2337 1.0954 -1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3608 -0.6957 -1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6031 1.1132 1.2548 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5943 -0.6723 1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0750 1.1181 -0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0488 -0.6858 -0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1296 -0.6781 1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0191 1.0970 1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1142 -0.1596 1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2095 -0.8504 -0.3498 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6955 1.3516 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2947 2.1897 0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9574 0.5188 -1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6624 2.3170 -2.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8245 2.6036 0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8659 2.0157 -1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0316 0.6005 1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6008 0.9035 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7159 -1.0297 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4058 -0.6243 -1.1435 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3153 -1.8846 1.4975 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1674 -2.7164 0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6670 -2.1612 2.0195 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2566 -0.4552 1.9182 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6625 -0.4880 -0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1234 -0.8919 -2.5757 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3685 -1.2715 -2.1462 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