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
8.7354 0.7195 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5010 1.1548 -0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6846 -0.0897 -1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4317 0.2408 -1.7632 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6633 -1.0058 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2778 -1.6989 -0.7843 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4244 -0.8453 0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1451 -0.4682 -0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 0.3867 0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0366 0.7719 -0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7280 -0.4560 -0.8751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0794 -1.2605 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8971 -0.4544 1.3007 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1691 -0.0037 0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0364 0.8037 1.5805 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4275 0.0007 2.7758 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1867 -1.2447 2.5134 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5000 -0.9695 1.8483 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2892 -0.3615 0.6024 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3067 0.0168 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4983 -0.1909 0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9919 0.6458 -1.5371 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9835 1.0006 -2.3443 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2540 -0.0855 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3976 1.5622 0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3689 0.2246 1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9099 1.8658 -0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7949 1.6299 -1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2767 -0.7851 -1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4816 -0.6116 -0.0607 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6963 0.7817 -2.6981 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8493 0.9737 -1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7691 -0.8349 -2.6781 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3792 -1.6995 -2.5834 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1442 -2.1230 -0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6288 -2.5825 -1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1356 -1.4267 0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8965 0.0896 0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3109 0.0547 -1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6383 -1.4367 -0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8544 1.2848 0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0391 -0.1786 1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3126 1.3827 -1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6370 1.4282 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6528 -0.2117 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1435 -1.0904 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1846 -1.7187 0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6909 -2.1642 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2850 0.3911 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2219 -1.0880 2.1735 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6606 -0.9193 0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9600 0.6289 -0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3484 1.6152 1.9829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8746 1.2660 1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0383 0.7201 3.4219 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5335 -0.2189 3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6333 -1.9335 1.7989 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2995 -1.8812 3.4258 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1002 -1.9227 1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1148 -0.3165 2.5288 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9850 0.8240 -1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0267 0.8223 -2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8392 1.4614 -3.2896 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