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
-9.1030 -0.9931 -0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6342 -0.5907 -0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3333 0.5504 -1.0827 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8545 0.9519 -0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6466 1.3921 0.4879 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3776 1.9968 0.9136 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1330 1.2266 0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7151 1.0250 -0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3657 0.2287 -0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5294 -1.0904 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4152 -2.0431 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9009 -1.6965 0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6927 -0.5948 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0198 -0.4590 0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8392 -1.6934 0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1635 -1.5526 1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9255 -0.4051 0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2540 -0.3150 1.2286 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0642 0.7378 0.7568 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5041 0.7677 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2215 -0.1191 -1.3943 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3363 1.8817 -0.9767 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6727 2.8518 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6967 -0.0722 -0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3385 -1.7206 0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1253 -1.4732 -1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0432 -1.4937 -0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4842 -0.3821 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4084 0.2309 -2.1449 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9458 1.4458 -0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5295 1.6544 -1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3768 -0.0951 -1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4733 2.1204 0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8779 0.5157 1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2048 2.9994 0.3913 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4225 2.2648 2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2735 1.6702 1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2517 0.2161 1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4339 0.5881 -1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4094 2.0133 -1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7071 0.8852 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1204 0.2495 -1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5093 -1.5197 -0.5306 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6917 -0.8901 0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7569 -3.0740 0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2767 -2.2430 -1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4931 -2.6786 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8601 -1.4832 1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2845 0.4002 -0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0335 -0.8671 -1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5623 0.4388 0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7745 -0.2728 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1358 -1.8949 -0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3214 -2.5986 0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7611 -2.4724 0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9941 -1.4155 2.1411 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4453 0.5904 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0934 -0.6118 -0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7901 -1.2916 1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0351 -0.1386 2.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6877 1.9087 -2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3066 2.7877 0.8748 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2920 3.6514 -0.5121 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