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
-8.1636 -0.1399 -0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8329 0.2610 -1.5644 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4485 0.7363 -1.7627 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3383 -0.1900 -1.4897 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0670 -0.6801 -0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6859 0.3456 0.8843 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4187 1.0863 0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2281 0.1790 0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9249 -0.5778 1.6671 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7557 -1.4810 1.5679 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5450 -0.7432 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8998 0.2671 2.2257 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0675 1.1127 1.9329 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4136 0.5544 1.7267 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6653 -0.3090 0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1645 -0.6708 0.6045 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5360 -1.5504 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2954 -0.9190 -1.8814 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0116 0.2567 -2.0686 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3858 0.3566 -2.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0811 -0.6730 -1.8498 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0459 1.6469 -2.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3536 1.7443 -2.2375 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5776 0.2683 0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1669 -1.2643 -0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2406 0.1633 0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5945 1.0333 -1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0150 -0.5838 -2.3057 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2803 1.7613 -1.3084 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3725 0.9870 -2.8796 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4340 0.2276 -2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5512 -1.1187 -2.1281 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8827 -1.3030 0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1853 -1.4160 -0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4934 1.0881 0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5642 -0.1687 1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2231 1.7936 1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5076 1.6547 -0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3449 0.8499 0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3258 -0.4513 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 0.1097 2.5242 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8088 -1.2056 1.9317 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5753 -1.9947 2.5307 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8785 -2.2505 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6145 -0.4539 0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2940 -1.5970 1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0869 -0.2573 3.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0474 0.9802 2.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8175 1.8240 1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1904 1.9229 2.7474 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1490 1.4139 1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6725 0.0004 2.6876 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1576 -1.2609 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4718 0.3089 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7392 0.2479 0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2872 -1.2572 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9763 -2.5059 -0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6073 -1.7959 -0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2267 -0.7417 -2.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6330 -1.6642 -2.6593 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4416 2.5179 -2.4249 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8555 2.6721 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9381 0.8530 -2.0659 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