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
-7.9890 -0.1113 2.1233 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6552 0.5527 1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5127 -0.4078 1.9197 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6189 -1.5244 0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6621 -1.1018 -0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5944 -0.2767 -1.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2109 -0.7616 -1.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4428 -1.0409 0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0055 -1.4955 -0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2509 -0.4571 -1.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1259 0.8652 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6360 1.8207 -1.1179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0263 1.3625 -1.4741 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8125 1.1616 -0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2381 0.6968 -0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9907 1.6929 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4171 1.3318 -1.5559 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2646 1.1453 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8991 0.1360 0.5274 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8225 -1.2090 0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1050 -1.5266 -0.9891 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4246 -2.2195 1.1947 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1398 -1.8412 2.4141 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5394 -0.1114 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6172 0.4616 2.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8760 -1.1418 2.5085 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6606 1.1328 0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5099 1.2989 2.6697 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5569 -0.8967 2.9369 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5680 0.1288 1.8847 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6260 -2.0621 1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8961 -2.3017 1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6708 -2.0730 -1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6863 -0.6836 -0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5752 0.7694 -0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9114 -0.0990 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5987 -0.0176 -1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1667 -1.6946 -1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8599 -1.8479 0.7062 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3370 -0.1247 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4739 -1.7237 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1020 -2.3989 -0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6244 -0.2374 -2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8016 -0.8449 -1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1462 1.3049 -0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3894 0.7590 0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0733 2.0759 -2.0442 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7413 2.7935 -0.5548 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4475 2.1743 -2.1221 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0511 0.4376 -2.0755 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7993 2.0428 0.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3155 0.3273 0.3428 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6846 0.6889 0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2831 -0.3116 -0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4239 1.8837 -2.2168 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9865 2.6568 -0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4817 0.4901 -2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8385 2.2236 -2.1123 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3487 1.0913 -0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2188 2.1106 0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3645 -3.2653 0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8501 -2.5621 3.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1954 -0.8067 2.6827 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