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
8.9462 1.6766 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4640 1.2780 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4129 -0.1612 0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0144 -0.7319 0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3593 -0.6541 -0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9657 -1.2095 -0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0370 -0.4910 0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9168 0.9789 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9916 1.6626 0.8128 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6019 1.0739 0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0359 1.1736 -0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4360 0.5838 -0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4475 -0.8577 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8397 -1.4135 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7508 -0.7023 0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1122 -1.3726 0.5882 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1212 -0.7332 1.5243 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4260 -1.4606 1.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8460 -1.3456 0.0038 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1281 -0.1394 -0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0192 0.9142 0.0789 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.5712 -0.0336 -1.9751 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8379 1.1411 -2.5082 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1424 2.5149 -0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2084 1.9195 1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5436 0.7721 -0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9739 1.9142 0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0899 1.4664 -0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9777 -0.7909 -0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8633 -0.2678 1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4078 -0.1152 1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1135 -1.7797 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4001 0.3661 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9658 -1.2849 -1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9579 -2.2960 -0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5664 -1.0841 -1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2983 -0.5793 1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0186 -0.9335 0.0578 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5311 1.1100 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 1.4430 -0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3766 1.5366 1.8673 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9705 2.7560 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0734 1.6348 1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6511 0.0581 1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5630 0.6579 -1.3341 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1214 2.2349 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8411 0.6770 -1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1089 1.1879 0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0870 -0.9975 0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 -1.4556 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7676 -2.4846 0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2643 -1.4315 -1.2747 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8447 0.3782 0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4111 -0.8168 1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4462 -1.2425 -0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9767 -2.4411 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7358 -0.9049 2.5632 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1543 0.3413 1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2753 -2.5373 1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1603 -1.0729 2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6725 -0.9218 -2.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1575 1.2247 -3.5195 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7448 2.0676 -1.9461 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