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
-3.3196 3.8725 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2993 2.3979 -0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2080 2.2030 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2411 0.7520 1.3937 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8894 0.2274 1.8011 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9969 -1.1998 2.2046 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5607 -2.1680 1.2651 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9194 -2.4204 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8282 -1.3613 -1.0518 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1733 -1.8895 -2.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8025 -2.3753 -2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1228 -1.3262 -1.5079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4630 -2.0089 -1.2944 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4805 -1.0266 -0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7469 -1.7974 -0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9194 -1.1276 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5340 0.0081 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7586 1.2341 -0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2268 1.8447 0.2112 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0260 2.3038 1.2427 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2846 2.1867 1.1698 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4022 2.9224 2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1069 3.0511 2.5026 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9350 4.4560 0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7785 4.0627 -1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4075 4.1480 -0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2755 2.0817 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7011 1.7862 -1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7996 2.7664 1.8537 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2313 2.5280 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8910 0.7200 2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7233 0.1195 0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0621 0.4106 1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6368 0.8094 2.7846 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9798 -1.5520 2.6079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6127 -1.1879 3.1733 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5865 -3.1873 1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6636 -1.9070 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8701 -2.8254 0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4870 -3.3218 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2388 -0.5087 -0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8744 -1.0367 -1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2579 -1.1285 -3.1237 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7993 -2.7733 -2.6243 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7770 -3.2324 -1.3823 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2776 -2.7419 -3.0055 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2217 -0.4380 -2.1358 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2044 -0.9810 -0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3341 -2.8985 -0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8788 -2.3630 -2.2599 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4939 -0.1886 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1380 -0.7411 0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4700 -2.6694 0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0080 -2.3548 -1.5171 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7485 -1.9179 0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7390 -0.9050 1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9030 -0.3694 -1.6854 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5023 0.2966 -0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0993 1.2423 -1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5742 2.0138 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0434 3.2732 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6402 3.5056 3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4434 2.7068 1.7208 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