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
-9.6109 -0.7912 0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2340 -1.3468 0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2963 -0.9700 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8981 -1.4502 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2626 -0.9134 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1710 0.5868 0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3624 1.1334 -0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9342 0.6332 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2149 1.2462 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7804 0.8063 -1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0205 1.1741 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4544 0.6619 -0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2192 1.0546 0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6842 0.6085 0.7334 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3273 1.2542 -0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8033 0.8149 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5039 1.2334 0.6805 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9720 0.9643 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3233 -0.3447 0.5617 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3442 -1.1261 -0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0265 -0.6263 -1.6646 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7284 -2.5570 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0536 -3.0632 0.6655 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1894 -0.7472 1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1060 -1.4233 -0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4625 0.2548 -0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9693 -0.9314 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3218 -2.4516 0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2694 0.1311 -0.6801 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6711 -1.4135 -1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9329 -2.5598 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2921 -1.2284 -1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8393 -1.2454 1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2560 -1.3701 1.0346 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1676 1.0365 0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7135 0.8842 1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3319 2.2371 -0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8594 0.9151 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4812 0.8871 0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9429 -0.4722 -0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7577 0.9179 -2.2571 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2899 2.3513 -1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3367 1.2376 -2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7499 -0.3021 -1.5298 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1124 2.2511 -0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3476 0.6056 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4582 -0.4313 -0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8836 1.1749 -1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7575 0.6419 1.6796 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1725 2.1768 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7114 -0.4814 0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1565 0.9175 1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8587 0.9010 -1.3834 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3547 2.3494 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1481 1.2300 -1.4943 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7343 -0.3047 -0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2711 2.2916 0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0375 0.6157 1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4418 1.6054 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3669 1.4227 1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7353 -3.1452 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0468 -2.4701 1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3449 -4.1017 0.7796 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