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
-8.7341 -0.5409 1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9169 0.3589 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0756 1.3168 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1284 0.5848 1.8822 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1680 -0.2969 1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3527 0.5377 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3726 -0.3181 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5794 0.5698 -1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8046 1.6203 -0.7926 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8334 1.0352 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1541 0.1565 -0.5575 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1588 -0.4393 0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1058 -1.3106 -0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8586 -0.5593 -1.4059 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8132 -1.4687 -2.1568 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8344 -2.1062 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6995 -1.0844 -0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4530 -0.2127 -1.5087 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2247 0.7065 -0.7994 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2310 0.4539 0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5215 -0.7452 0.3158 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9752 1.4913 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9245 1.1534 1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5703 -1.0074 0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0568 -1.3169 1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1848 0.0803 1.8811 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2975 -0.2635 -0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6324 0.9231 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7742 1.8968 1.6349 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5370 2.0130 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4938 1.3685 2.3884 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6325 -0.0224 2.6512 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7499 -1.0708 0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4675 -0.7830 1.8443 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9966 1.0438 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7830 1.2791 0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9656 -1.0109 -1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7353 -0.9372 0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9270 -0.0325 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3285 1.0326 -2.2012 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2350 2.1909 -1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4542 2.3922 -0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4233 0.4390 0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3174 1.8190 0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7104 0.8243 -1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3792 -0.6672 -1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 -1.0620 1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6754 0.3811 0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5126 -2.1566 -0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8687 -1.6766 0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3383 0.3104 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1586 -0.1753 -2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1964 -2.2730 -2.5985 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2564 -0.8958 -2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3605 -2.7338 -0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4694 -2.7509 -1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1184 -0.4739 0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4236 -1.6671 0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7850 0.3726 -2.1874 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0562 -0.8584 -2.1906 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7480 2.5243 0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4756 1.9252 2.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1566 0.1164 1.7945 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