Monomers
2-Ethylhexyl methacrylate
Identifiers
IUPAC name
2-ethylhexyl 2-methylprop-2-enoate
InchI
InChI=1S/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3
InchI Key
WDQMWEYDKDCEHT-UHFFFAOYSA-N
SMILES
CCCCC(COC(=O)C(=C)C)CC
Canonical SMILES
CCCCC(CC)COC(=O)C(=C)C
Isomeric SMILES
CCCCC(CC)COC(=O)C(=C)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H22O2
Heavy Atom Count
14
Molecular Weight
198.306
Exact Molecular Weight
198.162
Valence Electrons
82
Radical Electrons
0
tPSA
26.3
MolLogP
3.3221
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
36 35 0 0 0 0 0 0 0 0999 V2000
-3.7437 -2.5894 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6223 -1.8037 0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1064 -0.7209 -0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9903 -0.0275 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3403 1.0881 -0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7439 1.6571 0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7310 0.7223 0.8405 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5292 0.0718 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3728 0.3242 -1.2826 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5494 -0.8979 0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2698 -1.4748 -0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7701 -1.2293 1.7564 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3762 2.1548 -0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7995 3.3218 -1.4383 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4084 -3.5161 -0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3900 -1.9558 -0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3989 -2.9376 0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0329 -1.2623 1.4534 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7745 -2.4235 0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6585 -1.1525 -1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9045 0.0028 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3462 0.3258 1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2455 -0.8372 0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0896 0.6692 -1.3083 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3317 2.0711 1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2145 2.5460 -0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0228 -2.1916 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0888 -1.2165 -1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6973 -2.3420 1.8531 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7971 -0.9586 2.0929 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0357 -0.6952 2.3798 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2362 1.7927 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7068 2.5448 0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4272 3.0161 -2.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6663 4.0198 -1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0687 3.9041 -0.8613 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 2 0
8 10 1 0
10 11 2 3
10 12 1 0
5 13 1 0
13 14 1 0
1 15 1 0
1 16 1 0
1 17 1 0
2 18 1 0
2 19 1 0
3 20 1 0
3 21 1 0
4 22 1 0
4 23 1 0
5 24 1 0
6 25 1 0
6 26 1 0
11 27 1 0
11 28 1 0
12 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
13 33 1 0
14 34 1 0
14 35 1 0
14 36 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers