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
-7.4178 -0.3223 1.4234 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9158 -1.7502 1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8275 -2.0788 2.1626 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6781 -1.1241 1.9884 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1413 -1.2253 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9641 -0.2961 0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3497 1.1478 0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2043 2.0874 0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6639 1.9902 -1.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5266 2.9568 -1.2172 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0038 2.8782 -2.6204 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4951 1.5118 -2.9978 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6171 1.1197 -2.0424 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1629 -0.2530 -2.4089 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2553 -0.5895 -1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3989 0.3720 -1.4248 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4337 -0.0621 -0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0155 -1.4070 -0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9626 -1.7119 0.3344 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6324 -1.8117 1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4433 -1.6354 2.0789 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6534 -2.1311 2.6875 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3023 -2.2183 3.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3977 -0.2614 0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6492 -0.2123 2.5014 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6829 0.3851 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7585 -2.4768 1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6036 -1.9354 0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1664 -2.1481 3.2175 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4725 -3.1192 1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9249 -1.3861 2.7629 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0173 -0.0930 2.2523 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9162 -0.9232 -0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8313 -2.2482 0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6395 -0.4603 -0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1036 -0.5324 1.0217 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6240 1.2643 1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2238 1.4273 -0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3893 1.9694 1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5934 3.1207 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2476 0.9595 -1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4554 2.2702 -1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8481 4.0056 -0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2987 2.7176 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7903 3.6609 -2.7887 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8170 3.1514 -3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3268 0.7668 -3.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8798 1.4953 -4.0531 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3770 1.8989 -2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1771 1.0473 -1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5784 -0.2299 -3.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3585 -0.9885 -2.2909 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6001 -1.6319 -1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8273 -0.5951 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0503 1.3913 -1.1733 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8959 0.4136 -2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2764 0.6789 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0472 0.0758 0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2793 -2.2371 -0.7151 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5513 -1.3857 -1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6626 -2.2851 2.3728 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3019 -2.0701 4.2968 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0499 -2.4515 4.6911 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