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
-8.2172 1.6751 1.9133 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7181 0.8077 0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8626 1.6794 -0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2977 0.9199 -1.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4335 -0.2452 -0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3000 0.2798 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3551 -0.7864 0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7174 -1.5595 -0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9099 -0.6873 -1.6178 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8083 0.0129 -0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1820 -0.9215 -0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2574 -0.1153 0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2403 -1.0147 1.1148 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9651 -1.9509 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7583 -1.2745 -0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8278 -0.3382 -0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7805 -1.0835 0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8226 -0.2903 1.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6786 0.4499 0.4999 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4731 1.6026 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3451 2.1528 -0.1604 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5624 2.2253 -0.9921 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7304 1.6390 -1.0152 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0842 1.2101 2.4278 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4115 1.7978 2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5261 2.6658 1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5759 0.3691 0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1058 -0.0338 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1015 2.1761 0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5524 2.4818 -0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1268 0.5957 -1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7194 1.6653 -1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0278 -0.6837 -1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0430 -1.0029 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7476 1.0221 -0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6906 0.7757 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8814 -1.5077 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5944 -0.2886 1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0261 -2.3034 -0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5058 -2.1199 -1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6102 -0.0206 -2.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5210 -1.3792 -2.4196 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2773 0.6656 -1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2168 0.6603 -0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3155 -1.5575 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6322 -1.6185 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7168 0.6334 -0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7283 0.4456 1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9376 -0.4384 1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6575 -1.6542 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5813 -2.6271 0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2255 -2.6211 -0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1171 -0.6481 -1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2365 -2.0518 -1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2835 0.4779 0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4028 0.0130 -1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2694 -1.8847 -0.0412 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2560 -1.6798 1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3547 0.3986 2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4523 -1.0241 1.8845 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3645 3.1189 -1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9037 0.7297 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5371 2.0654 -1.5836 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