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
-6.7878 2.4344 1.5377 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9206 0.9375 1.4622 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5672 0.3149 1.7228 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5333 0.7398 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8877 0.3709 -0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0518 -1.0835 -0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9183 -1.9502 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6792 -1.8398 -1.2865 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8882 -0.5927 -1.3325 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6076 -0.9766 -2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2152 0.2962 -2.2142 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4733 0.0482 -2.9849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3064 -1.0240 -2.3579 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6889 -0.6031 -0.9339 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5206 -1.7160 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0085 -1.5765 0.9884 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9499 -0.5469 1.4163 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6569 0.8853 1.2793 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7367 1.6428 1.8719 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0271 1.6383 1.4428 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3625 0.9489 0.4610 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0346 2.4314 2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2721 2.4208 1.6957 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8678 2.6892 2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7692 2.8494 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6465 2.8176 2.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3336 0.6658 0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6402 0.5650 2.2167 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2330 0.6426 2.7229 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6177 -0.7903 1.7407 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5957 0.1965 0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3180 1.8151 0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8912 0.9092 -0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2023 0.8320 -1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3048 -1.3144 -1.9675 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9998 -1.4622 -0.3593 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7192 -1.8841 0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3271 -3.0349 -0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8115 -2.1555 -2.3817 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9981 -2.7003 -0.9221 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6160 -0.1284 -0.3893 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3078 0.2077 -2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0005 -1.2086 -3.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0834 -1.7934 -1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3576 1.0728 -2.8088 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4212 0.6742 -1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0633 0.9739 -3.0814 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1872 -0.2633 -4.0114 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8283 -2.0047 -2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2225 -1.1370 -2.9816 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7270 -0.5947 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1031 0.3863 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8245 -2.6250 -0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3146 -2.0397 -1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4537 -2.5798 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0694 -1.5517 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9900 -0.7525 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1547 -0.7400 2.5325 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7871 1.1628 0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7419 1.2597 1.7225 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7639 3.0292 2.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5456 1.8180 0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0320 2.9937 2.1707 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