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
-7.7924 -1.1545 1.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6298 0.0552 0.9765 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1807 1.1626 0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8865 1.7939 0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6392 0.9388 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4022 0.5015 -1.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2922 -0.4302 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9086 -0.0923 -1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4685 0.1134 0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9617 0.4307 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1361 -0.6674 -0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3265 -0.1854 -0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2484 -1.2418 -0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6775 -0.8094 -0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1375 -0.5456 0.7692 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6040 -0.1112 0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8549 1.1255 0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2266 1.6530 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3027 0.9169 -0.2736 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9170 -0.1749 0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4772 -0.6498 1.3129 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0628 -0.8363 -0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5892 -1.8845 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1876 -1.3209 0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1722 -1.1655 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4730 -2.0833 1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7586 0.4410 2.0306 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6931 -0.2512 0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9554 1.9926 0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1003 0.7854 -0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7343 2.7116 -0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8469 2.1504 1.5172 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5452 0.1610 1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8279 1.7123 0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3202 1.4264 -1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3383 0.0180 -1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3727 -0.7849 -2.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5636 -1.3942 -0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5913 0.8298 -1.6336 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2656 -0.8961 -1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5267 -0.8205 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9165 0.9240 0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8682 1.3293 -0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6173 0.7569 1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2403 -1.6204 0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3181 -0.8791 -1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3673 0.7421 -0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5531 0.0250 0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9899 -1.3735 -1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0357 -2.1884 -0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7747 0.0890 -1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2960 -1.6021 -1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0278 -1.4527 1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5525 0.2844 1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1501 -0.9549 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8865 -0.0065 1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1817 1.9438 0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5666 0.9726 -1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2371 2.6007 -0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3788 2.0993 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4543 -0.4426 -1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2176 -2.3024 1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4370 -2.3647 -0.2515 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