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
8.7251 1.6410 -1.7678 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8904 1.9863 -0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0370 0.8145 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0951 0.3654 -1.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2249 -0.8044 -0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3947 -0.4403 0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4745 -1.5307 0.8344 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4865 -1.9722 -0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5747 -0.8783 -0.6709 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7502 -0.2786 0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1462 -1.2647 1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9126 -0.5350 2.2014 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7652 0.5826 1.6851 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7991 0.1215 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7144 -0.8796 1.3254 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7840 -1.4104 0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6748 -0.2789 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7637 -0.8496 -0.9559 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5788 0.1990 -1.4026 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3426 1.0377 -0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3238 0.8598 0.6264 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1551 2.1021 -1.1773 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8624 2.8713 -0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1067 0.5874 -1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2312 1.8222 -2.7245 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6261 2.3145 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5853 2.2171 0.2658 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2781 2.8631 -0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4304 1.1705 0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7149 0.0189 0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6269 0.1040 -2.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3841 1.2260 -1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9101 -1.6543 -0.6174 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6356 -1.0807 -1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8185 0.4906 0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1026 -0.2597 1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9066 -1.1355 1.7021 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0144 -2.4286 1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9805 -2.4463 -1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8626 -2.7703 0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1022 -0.0585 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8611 -1.3416 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4321 0.2239 1.1286 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1325 0.5182 -0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8684 -1.6812 0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4097 -2.1318 1.5264 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5439 -1.2127 2.8114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1662 -0.0430 2.8955 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1501 1.4125 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2636 1.0376 2.5917 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2750 -0.3371 -0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3602 0.9935 0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1505 -0.3785 2.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1524 -1.7514 1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2825 -1.9026 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3933 -2.2045 0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0552 0.4452 -0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1176 0.2674 0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3822 -1.5643 -0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3368 -1.4224 -1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1692 2.2509 -2.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8448 2.7176 0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4708 3.6655 -0.7873 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