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
-8.3321 -1.1996 -0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3851 -2.0390 -1.0769 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3596 -1.0562 -1.6806 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6993 -0.4174 -0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6915 0.5775 -0.9264 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6329 -0.0674 -1.7745 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9306 -1.1332 -1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2640 -0.6474 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2225 0.4054 -0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5356 0.9089 1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4716 1.9422 0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1779 2.4731 1.9398 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8850 1.3995 2.6803 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9037 0.7249 1.7992 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9056 1.7153 1.3351 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9726 1.0046 0.4775 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3320 0.3950 -0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1731 -0.2698 -1.7217 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9875 -1.3140 -1.3783 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1155 -1.3064 -0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5579 -0.2335 -0.1516 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8408 -2.5622 -0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9289 -2.4984 0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3319 -1.6562 -0.3024 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3874 -0.1566 -0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9687 -1.2133 0.8041 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7787 -2.7328 -0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8920 -2.6050 -1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6095 -1.6738 -2.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8384 -0.3314 -2.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2640 -1.2361 0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4852 0.0685 0.1755 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1698 1.4373 -1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2408 1.0379 -0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0709 -0.5241 -2.6884 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9182 0.6986 -2.1845 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1112 -1.5201 -1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6406 -1.9345 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9775 -0.2812 1.0089 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 -1.5214 0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4431 -0.0662 -0.7208 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6703 1.2309 -0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0678 0.0298 1.6304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 1.3602 1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1990 1.5344 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0660 2.8147 0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4138 2.9869 2.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8827 3.2802 1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4622 1.8623 3.5184 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2273 0.6113 3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3567 -0.0970 2.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3529 0.2034 0.9873 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4419 2.5190 0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4742 2.1974 2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7430 1.7466 0.3051 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3850 0.2049 1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6802 1.1345 -1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5779 -0.3904 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7292 0.5468 -2.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4616 -0.6631 -2.5261 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5021 -3.4979 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5001 -3.3932 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3115 -1.5778 0.7889 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