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
-7.1056 -3.4139 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6949 -1.9380 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8762 -1.3886 -1.1773 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5168 0.0554 -1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0564 0.2521 -0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1657 -0.5036 -1.6893 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7187 -0.5647 -1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8428 0.6089 -1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0507 1.5167 -0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1108 2.6854 -0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3223 2.2580 -0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6530 1.4885 0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1328 1.0593 0.8331 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0471 2.2099 0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5004 1.9428 0.7378 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1390 1.3419 1.9137 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7611 -0.0026 2.4073 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9520 -1.0252 1.3099 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3383 -0.9759 0.9747 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8983 -1.7841 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1153 -2.5738 -0.5946 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3120 -1.7271 -0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7751 -2.5220 -1.2813 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4266 -3.7802 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9864 -3.4428 -0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3055 -4.0158 -0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3740 -1.4352 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6642 -1.8526 0.5779 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9726 -1.4701 -1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3608 -1.9907 -1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1917 0.6588 -0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5526 0.3847 -2.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0216 0.0372 0.2663 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9152 1.3773 -0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3274 -0.1918 -2.7854 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5185 -1.6051 -1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2898 -1.2707 -2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5265 -1.2411 -0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7457 0.2764 -1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8718 1.2160 -2.3635 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8198 0.8926 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0826 1.8598 -0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3046 3.4203 0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3023 3.2912 -1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5700 1.6841 -1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9564 3.2216 -0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0688 0.5287 0.9489 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5686 2.0891 1.8149 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3167 0.2900 1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1885 0.5412 -0.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8827 2.8910 1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8187 2.8886 -0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7168 1.2992 -0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9892 2.9572 0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0612 2.0478 2.8217 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2679 1.3965 1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6108 -0.3150 3.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8446 -0.1328 2.9503 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6586 -2.0265 1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3212 -0.7267 0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9718 -1.0563 0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0972 -3.1955 -1.7804 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8421 -2.5000 -1.5552 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