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
8.6124 1.1327 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1294 1.4460 -0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5227 1.2014 1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0574 1.4711 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2990 0.5650 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4950 -0.8534 0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9280 -1.8391 -0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4866 -1.9140 -0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9351 -0.7899 -1.5839 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5013 -0.8312 -1.9469 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5899 -0.7466 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7265 -1.7369 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0069 -1.4844 0.8998 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2065 -1.6278 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5004 -1.4063 0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5542 -0.0278 1.4246 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4764 1.0557 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5901 0.9955 -0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8738 1.1196 -0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3544 2.2051 0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5445 3.1620 0.8057 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.6813 2.2997 1.1744 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5652 1.3281 1.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1422 2.0977 -0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8519 0.5912 0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9760 0.5464 -1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9539 2.4986 -0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6736 0.8138 -1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8029 0.2187 1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0006 1.9580 1.7796 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6756 1.3272 2.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8633 2.5008 0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2239 0.8137 0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4252 0.8875 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5960 -1.1214 0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1280 -1.0713 1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1990 -2.9137 -0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5059 -1.8370 -1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3509 -2.8697 -1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9404 -2.1173 0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4731 -0.9024 -2.6213 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2156 0.2251 -1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3390 -1.7243 -2.6391 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3434 0.0467 -2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5310 0.2852 -0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5417 -0.6069 -1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0672 -1.5722 0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7124 -2.7936 -0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9675 -2.2243 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9076 -0.4891 1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2588 -2.7146 -0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2343 -1.0710 -0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3279 -1.6298 0.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5027 -2.1378 1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7060 0.0995 2.1177 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4661 0.1430 2.0154 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5103 2.0306 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5181 1.0358 -0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4393 1.8661 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5615 0.1004 -1.2538 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9893 3.1773 1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5641 1.3861 1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3060 0.4224 0.4867 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