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
-9.4060 -0.7752 -1.4764 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6485 -0.1020 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2546 0.3305 -0.8129 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5911 0.9876 0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1921 1.4726 0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3256 0.3211 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9165 0.7358 -0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2278 1.3750 0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1537 0.4365 1.7019 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4164 -0.8308 1.4379 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0182 -0.4848 1.0446 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7742 -1.7385 0.7844 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1793 -1.4429 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8996 -0.6893 1.4515 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3470 -0.4068 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4926 0.4227 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9675 0.6574 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7470 -0.6153 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1050 -0.3877 -0.8729 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6205 0.3390 -1.9391 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8080 0.8282 -2.7432 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0347 0.5456 -2.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8966 0.0382 -1.3128 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6920 -1.2337 -2.1932 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0969 -0.0625 -1.9922 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9985 -1.6245 -1.0609 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5786 -0.7579 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2151 0.8098 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3942 1.0963 -1.6013 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7162 -0.5613 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4881 0.2543 1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2040 1.8266 0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2030 2.2374 -0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8118 1.9357 1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3208 -0.4770 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7430 -0.0952 -1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3485 -0.1791 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8884 1.4139 -1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2183 1.6925 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7900 2.2760 0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2127 0.1908 1.9858 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6968 1.0117 2.5433 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8261 -1.4259 0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3507 -1.4118 2.3823 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0651 0.1497 0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5015 0.0423 1.9165 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2540 -2.3372 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 -2.3465 1.7163 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7782 -2.3793 0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2078 -0.8383 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8714 -1.2457 2.3976 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4167 0.3003 1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8545 0.0528 1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8175 -1.4175 0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0456 1.4256 -0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0162 -0.1300 -1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3647 1.1095 0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1579 1.4051 -1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2427 -1.2243 -1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7187 -1.2447 0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3705 1.1158 -2.9899 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9462 0.1809 -1.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5876 -0.5517 -0.4391 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