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
-8.3002 -1.0864 1.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5698 -2.4189 1.2763 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4119 -2.2548 0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3903 -1.2072 0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8704 -1.6396 2.2064 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9466 -0.7971 2.9508 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6150 -0.4012 2.4567 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4843 0.4286 1.2585 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0063 0.8212 0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2130 -0.3746 0.7243 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2234 -0.3562 0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8447 0.3943 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7610 1.8639 -0.4634 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2483 2.7622 -1.5192 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6376 2.8374 -1.9577 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3086 1.6549 -2.5498 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7306 2.0859 -3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4170 0.8912 -3.6057 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5206 -0.1469 -2.6732 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1785 -0.0743 -1.4725 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7425 0.9850 -1.1489 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2395 -1.2056 -0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6388 -2.3298 -0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1249 -0.4090 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3898 -1.2671 1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9935 -0.6457 2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3045 -3.0789 0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3643 -2.8683 2.2452 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7658 -1.8356 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8936 -3.2095 0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6342 -1.2170 0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9345 -0.2530 0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5264 -2.7339 2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8005 -1.7577 2.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5077 0.1603 3.2497 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7511 -1.2377 4.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9541 -1.3231 2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1025 0.1491 3.3135 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9114 0.0177 0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0609 1.3941 1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6640 1.5257 1.7438 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1674 1.4558 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3127 -1.0294 1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7896 -1.0098 -0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 -0.1281 1.4369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5370 -1.4516 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5052 0.0593 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9471 0.1106 -0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4419 2.1234 0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7841 2.2164 -0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5674 2.6199 -2.4295 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9797 3.8295 -1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2974 3.2041 -1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6875 3.6531 -2.7582 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5627 0.9253 -1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7266 1.2413 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5622 2.8864 -3.7418 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2502 2.5127 -2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3518 1.1386 -4.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7230 0.5247 -4.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7697 -1.1276 0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1152 -2.4134 -1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6750 -3.1830 -0.2318 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