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
-9.7780 -1.8220 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5286 -0.9770 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7841 -1.0500 -1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5317 -0.1810 -0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7707 -0.2239 -2.2186 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5332 0.6339 -2.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6632 0.1016 -1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3922 0.9645 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5835 0.3586 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2822 1.1237 0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4473 0.4705 1.5504 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7621 1.1096 1.8825 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7285 1.0891 0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9957 1.7493 1.1598 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6829 1.1183 2.3063 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0784 -0.2979 2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0173 -0.7212 1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6548 -0.6687 -0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7211 -1.1651 -1.0263 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9483 -0.5733 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1657 0.4779 -0.4208 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0280 -1.0814 -1.9459 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1774 -0.4595 -1.9732 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5692 -2.8548 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4726 -1.3536 -0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2522 -1.8048 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8397 -1.3127 1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8300 0.0633 0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4141 -0.6334 -1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5490 -2.0919 -1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8848 0.8483 -0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9648 -0.6109 -0.0858 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4626 -1.2859 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4312 0.0816 -3.0561 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8174 1.6959 -1.8728 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9959 0.6054 -3.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4220 -0.9632 -1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1447 0.2323 -0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7367 1.9817 -0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8891 0.8640 -1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2182 0.4146 1.1133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3435 -0.6805 -0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5661 2.1650 0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2824 1.1949 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1738 0.4763 2.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6277 -0.6054 1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 0.4877 2.6777 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6124 2.1117 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9011 0.0534 0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3360 1.6637 -0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6045 2.7591 1.6218 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6726 2.0453 0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1514 1.3425 3.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6393 1.7447 2.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1703 -0.9890 2.2886 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5194 -0.5347 3.3117 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2269 -1.8384 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0510 -0.2883 1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4173 0.3174 -0.6086 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7540 -1.3245 -0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8746 -1.9601 -2.5331 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3562 0.4359 -1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9846 -0.8134 -2.5796 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