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
-5.8055 4.2946 -0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5158 3.2161 -0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5074 2.4642 -1.7523 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4918 1.8150 -0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1778 0.8715 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1430 0.1959 1.0839 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4402 1.1783 1.9025 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5336 0.7188 2.9435 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3627 -0.1540 2.6813 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7104 -1.5244 2.2952 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6478 -2.5147 2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3189 -2.4249 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2581 -1.2800 0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2373 -1.4482 -0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0936 -2.6600 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0536 -2.7906 -1.3754 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9797 -1.5916 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9465 -1.6924 -2.5801 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7734 -0.5679 -2.6194 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6396 -0.1974 -1.6167 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7131 -0.8992 -0.5896 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4677 1.0090 -1.7536 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4140 1.7674 -2.8204 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3680 3.8814 0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0203 4.7491 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5527 5.0684 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0850 2.6013 -0.2417 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2459 3.7177 -1.6292 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9339 3.1948 -2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9840 1.7079 -2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8099 1.2280 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9666 2.6376 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6299 0.0420 -0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8983 1.3361 0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3726 -0.2053 0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6678 -0.6216 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9179 1.9734 1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2511 1.8051 2.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0998 1.6294 3.5077 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1183 0.2339 3.8099 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7628 0.3906 1.8972 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7592 -0.1338 3.6515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5355 -1.5957 1.5955 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2254 -1.9523 3.2685 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0711 -2.7606 2.9813 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2122 -3.5116 1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1150 -2.6233 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0006 -3.3469 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8160 -1.1129 1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6538 -0.3835 0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6899 -1.4219 -1.2616 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9009 -0.5549 -0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5404 -3.6235 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7315 -2.6337 0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5828 -3.7380 -1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4290 -2.7434 -2.3104 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5210 -1.4774 -0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4040 -0.6527 -1.5977 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3281 -1.6854 -3.5275 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5565 -2.6242 -2.5383 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1320 1.2690 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0165 2.6496 -2.9269 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7408 1.5018 -3.6183 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