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
-8.4281 -2.1565 -1.1975 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6506 -2.5853 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2139 -2.1371 -0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2278 -0.6416 -0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7793 -0.1107 -0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9198 1.3624 -0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7413 2.1864 -0.8511 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6077 2.1553 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7756 0.9324 0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6924 1.3088 1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2320 0.1748 1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9679 -0.3168 0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8254 0.7175 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8894 1.2722 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8579 0.2546 1.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5899 -0.4391 -0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3978 0.4879 -0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4479 1.2349 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3666 0.3984 0.4799 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1639 -0.4728 -0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0725 -0.5255 -1.4717 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0989 -1.3200 0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8702 -2.1600 -0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8185 -2.2788 -2.1097 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7996 -1.0995 -1.0934 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3301 -2.7903 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0759 -2.1188 0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7532 -3.6832 0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6270 -2.4444 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7822 -2.6386 -1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8039 -0.3486 -1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6264 -0.1898 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2264 -0.6367 -1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3134 -0.3399 0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4540 1.7513 0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6859 1.6034 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4012 1.9876 -1.9255 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0802 3.2882 -0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9189 2.4300 1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8745 3.0112 -0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2019 0.7584 -0.7569 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2779 0.0346 0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2383 1.5393 2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2205 2.2198 0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3913 -0.6837 1.8805 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8995 0.4440 2.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2462 -0.6895 -0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5931 -1.1742 0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3172 0.2640 -1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1939 1.5619 -0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4841 1.8173 1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4298 2.0611 -0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5719 0.7836 1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2914 -0.5013 1.6465 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8580 -0.9586 -0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2923 -1.1833 0.3913 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7237 1.2434 -1.3957 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7993 -0.1351 -1.7452 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9354 1.9877 -0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9126 1.8337 0.6252 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1845 -1.2816 1.5319 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5806 -2.8060 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8441 -2.2589 -1.2822 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