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
6.9370 0.2491 -2.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7992 -1.2599 -1.9406 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3813 -1.6537 -2.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3959 -0.9849 -1.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7247 -1.3853 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8956 -0.9061 1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7829 0.5256 1.5931 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2158 1.4702 0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9011 1.2861 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6519 1.2351 0.8348 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4548 0.1308 1.7831 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7209 0.0931 2.6629 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1055 0.1147 2.1448 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6066 1.3425 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9771 1.3465 0.9895 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4792 0.5299 -0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4498 -0.9222 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0442 -1.5458 -1.3495 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3215 -1.3088 -1.7155 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9992 -0.2694 -2.2503 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3763 0.7768 -2.5344 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.4465 -0.2943 -2.5225 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0040 0.7737 -3.0452 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0308 0.4837 -2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5829 0.6144 -3.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4651 0.7376 -1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4029 -1.6804 -2.7846 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2168 -1.5719 -0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2681 -2.7491 -2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1088 -1.2422 -3.2056 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5360 0.0897 -1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4006 -1.3520 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7173 -2.5269 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7997 -1.1126 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3422 -1.3925 2.2236 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8658 -1.3990 1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3644 0.6862 2.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9017 0.8592 1.7927 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1318 2.5070 1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9327 1.7989 -0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7041 2.0729 -0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9155 0.3289 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1454 1.0299 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4437 2.2429 1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4826 -0.8523 1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3482 -0.0064 2.4659 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5858 0.9476 3.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6492 -0.8628 3.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2089 -0.8076 1.5048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7646 -0.0697 3.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6400 2.1221 2.3829 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8803 1.8684 0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2439 2.4384 0.7187 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6500 1.1871 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0885 0.8991 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6150 0.8160 -0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3671 -1.2587 -0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9498 -1.4170 0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2956 -1.3716 -2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9396 -2.6714 -1.1673 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0419 -1.1698 -2.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4490 1.6652 -3.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0564 0.7751 -3.2506 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