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
-9.2194 0.5879 1.7871 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7270 0.5548 1.7293 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1814 1.2094 0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6719 1.0973 0.5457 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9984 1.7094 -0.6575 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4857 1.5689 -0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0732 0.1409 -0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5511 -0.0366 -0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0926 0.6558 0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3604 0.5879 1.1985 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9601 -0.7022 1.4907 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9416 -1.8441 0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5085 -1.6259 -0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9605 -1.1959 -0.8253 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9206 -2.1446 -0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3460 -1.8076 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1520 -1.6629 -1.4417 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7651 -0.6316 -2.4243 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7030 0.6408 -1.8206 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7282 1.3070 -1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8532 0.7389 -1.1792 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5859 2.6252 -0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6261 3.1938 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5575 -0.3045 2.3544 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5253 1.4887 2.3906 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6712 0.6144 0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2891 -0.4500 1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3072 1.1385 2.5949 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4966 0.6113 -0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4717 2.2652 0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3550 1.5435 1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4677 -0.0126 0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3373 1.1809 -1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2440 2.7755 -0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1928 2.1374 0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9688 2.0593 -1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4588 -0.4738 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4642 -0.3509 0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0639 0.3754 -1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3853 -1.1119 -0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3491 1.7763 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6941 0.3000 1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8519 1.1129 0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5405 1.3001 2.0939 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5675 -1.1152 2.4972 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0641 -0.5173 1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0010 -2.4217 0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7059 -2.6034 1.0541 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4872 -2.6133 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9511 -0.9122 -1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1463 -0.8505 -1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0015 -0.2572 -0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6174 -2.5058 0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8233 -3.1087 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4414 -0.8646 0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8947 -2.5691 0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2320 -2.6847 -1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2299 -1.4890 -1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6136 -0.5671 -3.2412 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9092 -0.8774 -3.0463 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6438 3.1453 -0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5584 4.1777 0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6081 2.7358 0.0062 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