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
-8.4594 1.3839 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7009 0.7623 -0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3328 1.4365 -0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6108 0.7811 -1.7607 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2384 1.3967 -1.9452 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3708 1.2390 -0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1437 -0.2052 -0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2704 -0.2458 0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9942 -1.6801 1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1414 -1.7366 2.4993 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1808 -1.1246 2.5288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2689 -1.5275 1.6333 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0824 -1.3447 0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3475 -1.8146 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5512 -1.0375 -0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4206 0.4400 -0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6548 1.1973 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8728 0.7247 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0396 1.4255 -0.2613 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2330 1.0392 -0.9047 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2105 0.1236 -1.7755 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4882 1.6680 -0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5868 1.2930 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3208 0.7384 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8017 2.4018 0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7705 1.4977 1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2631 0.9801 -1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5814 -0.3037 -0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7624 1.2127 0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4630 2.5188 -0.7837 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5550 -0.2982 -1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1626 0.9625 -2.7108 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3651 2.4692 -2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7190 0.9610 -2.8147 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3953 1.6994 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8138 1.7837 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1510 -0.6449 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7014 -0.7658 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8490 0.2560 1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3508 0.3169 0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8007 -2.3371 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0386 -2.0285 1.6777 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7429 -1.2455 3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0495 -2.7997 2.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0886 0.0169 2.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5314 -1.1774 3.6222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6906 -2.5439 1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1503 -0.8473 1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2512 -1.9477 -0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9215 -0.2847 -0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1904 -1.7227 -1.6469 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4904 -2.8724 -0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8267 -1.2761 0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4135 -1.4673 -0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5503 0.8256 0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2581 0.5922 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7945 1.1207 1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4502 2.2712 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0631 -0.3397 -0.3922 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7581 0.8723 -1.7474 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4905 2.4595 0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5120 1.7785 -0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5521 0.5161 -1.9372 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