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
-6.0192 -1.5091 0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1074 -0.5035 0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1812 -0.0147 -0.7218 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8930 0.6693 -1.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5687 1.8514 -0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3325 2.5287 -0.7863 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1375 1.5796 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9432 1.0888 0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8654 0.1733 0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4265 0.5260 0.9451 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1736 0.9556 -0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5840 1.2446 -0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6991 0.3143 -0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8783 -0.3171 0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1505 -1.1892 0.9699 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0149 -2.2977 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1536 -3.2100 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3998 -2.8455 -0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1178 -1.7551 -0.3996 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9838 -0.4301 -0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0104 -0.0901 -1.4371 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8921 0.5978 -0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7303 1.8653 -0.5688 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3816 -1.7126 0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3437 -1.1862 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5065 -2.4405 1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1074 -0.9149 0.9545 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9779 0.3851 1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4114 -0.7888 -1.4647 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9707 0.7581 -0.7709 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1173 -0.1009 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0196 1.0198 -2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4803 1.6440 0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4191 2.5989 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1207 3.4418 -0.1851 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4669 2.8536 -1.8554 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2978 2.0409 -1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3703 0.6700 -1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9995 1.9224 1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9152 0.5164 0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0692 -0.2818 2.0271 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9823 -0.8071 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3343 1.3795 1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0879 -0.2987 1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3706 1.9639 -0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1998 0.3077 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8401 2.1159 0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7306 1.7919 -1.4843 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6476 0.9568 -0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8016 -0.3594 -1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9169 0.4563 1.7268 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0871 -1.0474 1.2387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9861 -0.5182 0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1332 -1.6373 2.0472 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0901 -2.9227 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7367 -1.8986 -1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3512 -3.5361 1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7285 -4.1848 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1245 -3.7468 -0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2485 -2.8350 -1.8571 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7574 0.3570 0.3877 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8950 2.1714 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3857 2.6341 -0.2418 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