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
-8.7315 0.1455 0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8203 -0.6670 1.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3569 -0.4512 0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9592 0.9775 0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5486 1.3053 0.5593 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0328 1.1331 -0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0143 -0.1417 -1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3904 -1.3440 -0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9443 -1.3780 -0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4719 -0.4490 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0389 -0.5813 0.7097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8140 -0.2690 -0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3130 -0.4304 -0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7310 0.4890 0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1440 0.4992 1.2518 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2136 0.9539 0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4024 0.2711 -0.9414 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6401 0.8217 -1.6711 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7580 0.6138 -0.8682 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1545 -0.6547 -0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5027 -1.6408 -0.9085 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3209 -0.8648 0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0200 0.1618 0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5231 -0.0371 -0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7724 -0.1785 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6726 1.2279 0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0057 -0.4360 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0401 -1.7386 0.9574 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1659 -0.9095 -0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7923 -1.0094 1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1598 1.3132 1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6593 1.6323 0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4217 2.4065 0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9272 0.7987 1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1144 1.7921 -0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7791 1.7816 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3692 0.0835 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9858 -0.3733 -1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5362 -2.1550 -1.7458 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9353 -1.8012 -0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7222 -2.4240 -0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3434 -1.3388 -1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 0.6235 0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0168 -0.7428 1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2806 -1.5683 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2542 0.2062 1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5516 -0.9097 -1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6152 0.7773 -0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8079 -0.4308 -1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4650 -1.4918 0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3672 1.5402 0.6702 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1405 0.1760 1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4004 -0.5528 1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2689 1.0988 2.2297 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0804 2.0685 0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1918 0.8937 0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5775 0.6488 -1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3659 -0.8037 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7442 0.1979 -2.5771 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4495 1.8682 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5867 -1.8875 0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7354 1.1565 0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8763 -0.0025 1.3841 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