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
-9.6760 -1.5624 -0.9397 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3045 -0.9194 -0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0474 -0.2103 0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7009 0.4484 0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6031 -0.5749 0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2460 0.1648 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2106 -0.9079 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8288 -0.3283 0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6738 0.6747 -0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3435 1.3000 -1.1588 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2072 2.0249 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5202 2.6884 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6009 1.8064 -0.7512 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0964 0.7705 0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1821 0.0267 -0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9280 -0.9913 0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6001 -0.3230 1.4778 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4387 -1.2488 2.2654 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4791 -1.8522 1.4971 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3516 -1.1339 0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2519 0.1155 0.6798 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4380 -1.7497 -0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2332 -1.1792 -0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4374 -0.7890 -0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7784 -2.0518 -1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7437 -2.3948 -0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5191 -1.6771 -1.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2750 -0.1988 -1.7757 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8352 0.5948 0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1798 -0.8862 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5913 0.9051 1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5504 1.2091 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6217 -1.3157 1.0916 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6395 -1.0453 -0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3030 0.8797 -0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1360 0.6492 1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2566 -1.6473 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3475 -1.4450 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1291 -1.1913 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 0.0844 1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4912 1.4681 -0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9057 0.1454 -1.9651 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4505 2.0738 -1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3921 0.5282 -1.4496 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2873 1.3504 0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5303 2.8101 0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2958 3.4107 -1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8144 3.3563 0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3426 1.2179 -1.6556 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5359 2.3959 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5199 1.2254 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2665 0.1111 0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9036 0.7996 -0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6843 -0.4896 -1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2885 -1.8153 0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7238 -1.4183 -0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0581 0.6465 1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7344 -0.0331 2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8090 -2.0980 2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8519 -0.7740 3.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5474 -2.8675 0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8739 -0.7145 -1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6989 0.0747 -0.5753 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