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
7.6011 0.0287 2.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5893 -0.9866 1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3536 -0.7296 0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4123 0.6261 -0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3272 1.0215 -1.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9313 1.2045 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2521 0.0521 -0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7747 0.3476 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0002 0.7000 -1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4202 0.9583 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2530 1.3404 -1.7697 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2641 0.2578 -2.7955 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8089 -1.0093 -2.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2292 -0.8588 -1.6817 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6105 -2.2183 -1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9852 -2.2966 -0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1220 -1.3243 0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5262 -1.4601 1.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7067 -0.5770 2.1581 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5962 0.7938 2.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3110 1.3431 1.0194 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8111 1.5797 3.2956 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7058 2.8876 3.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9731 1.0082 1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2775 -0.3465 3.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5970 0.1370 2.7869 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4916 -1.9881 1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4777 -0.9363 0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5183 -1.0280 0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4592 -1.4604 -0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3785 0.6783 -0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5760 1.4219 0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3462 0.3140 -2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6936 1.9888 -1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8487 2.1217 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3639 1.5817 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3135 -0.9069 -0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6463 -0.0833 0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6646 1.1138 1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3553 -0.6007 0.6103 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3425 1.5960 -1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9827 -0.2263 -1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7702 0.0462 -0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4388 1.8334 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3002 1.5980 -1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8456 2.2638 -2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2345 0.0979 -3.1663 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8458 0.5591 -3.7132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1592 -1.4013 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8287 -1.8427 -2.9736 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9048 -0.5334 -2.4866 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2145 -0.0920 -0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4237 -2.9458 -1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8439 -2.4488 -0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1156 -3.3232 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7057 -2.0959 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9060 -0.3111 0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3937 -1.6516 1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2345 -1.2593 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6497 -2.4931 1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0561 1.1071 4.2262 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4592 3.3602 2.3059 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8677 3.4668 4.1382 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