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
-9.1968 -1.2926 0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6756 -1.2902 -0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3101 0.0789 -0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8335 0.2250 -0.8559 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0801 -0.0402 0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5901 0.0759 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2031 1.4553 -0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7276 1.6619 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0300 1.4085 1.0189 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4564 1.6129 0.9207 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1479 0.7439 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0380 -0.7275 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5677 -1.2090 1.4459 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9572 -0.9730 1.8389 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0881 -1.5179 1.0593 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2784 -1.0834 -0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5418 -1.7399 -0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7711 -1.3786 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0653 -0.0024 -0.1256 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3117 0.7736 -1.2464 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2618 0.1726 -2.3677 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6116 2.1943 -1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6733 2.8542 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5332 -2.2606 0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4249 -0.4615 0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6598 -1.1113 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2456 -1.4890 0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3541 -2.1057 -0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5774 0.7933 0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9143 0.2899 -1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5874 -0.5575 -1.6326 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5997 1.1903 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2742 -1.1095 0.7192 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4058 0.5838 1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1829 -0.0942 1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2588 -0.7063 -0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6742 1.7513 -1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5948 2.1604 0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5015 2.6365 -0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3381 0.8704 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2144 0.3544 1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4421 2.1026 1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8725 1.5144 1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6073 2.6847 0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6857 0.9566 -1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2189 1.0166 -0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1102 -0.9144 0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3301 -1.2782 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8292 -0.9221 2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4301 -2.3491 1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1790 0.1340 1.9951 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0399 -1.3546 2.9245 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0512 -2.6503 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0449 -1.2186 1.6051 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4748 -1.4649 -1.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3681 -0.0079 -0.4836 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6240 -1.4154 -1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3785 -2.8288 -0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8293 -1.8232 0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6351 -1.8430 -0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7919 2.7326 -2.0754 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4901 2.3018 0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8896 3.8901 0.0658 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