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
-8.8526 0.0250 -1.8176 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7105 -0.6769 -0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5219 0.2428 0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4109 1.1939 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0087 0.7433 0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5431 0.0056 -0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0611 -0.3895 -0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1831 0.8029 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7298 0.3369 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4468 -0.5666 0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0123 -0.9967 0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9171 0.1640 0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3625 -0.3037 0.9115 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2455 0.9055 1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7059 0.5794 1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1416 -0.1487 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6284 -0.4096 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2098 -1.1225 -1.2583 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5824 -1.3381 -1.0518 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5538 -0.3903 -0.8779 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1986 0.8164 -0.9049 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9572 -0.6980 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8137 0.2855 -0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5646 -0.4977 -2.4787 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1826 1.0511 -1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8728 0.0202 -2.3777 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7937 -1.0955 -0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1353 -1.5975 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3903 -0.4252 1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4798 0.8217 0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5126 1.7948 1.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5742 1.9579 -0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3194 1.6230 0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8420 0.1160 1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0650 -0.9415 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6764 0.6549 -1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8034 -1.0195 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0083 -1.0517 0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4086 1.3444 0.5809 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3046 1.4378 -1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1057 1.2614 -0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4951 -0.1844 -1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6607 -0.0232 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0706 -1.4867 0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1962 -1.5265 -0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2303 -1.6998 1.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8199 0.8435 0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7177 0.7266 1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5908 -0.8199 -0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5769 -0.9659 1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0788 1.6073 0.1519 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0337 1.4969 1.9297 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0241 0.0327 1.9165 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2570 1.5543 1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5954 -1.1139 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9014 0.4148 -1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1058 0.5803 0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7516 -1.0453 0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7218 -2.1072 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1166 -0.5530 -2.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3234 -1.7081 -0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5140 1.3376 -0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8744 0.1246 -0.3474 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