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
-4.6221 0.0180 -0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9369 0.1658 0.9165 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4615 -0.2830 0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7679 0.5607 -0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3191 0.3151 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4505 0.5108 0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8280 0.2986 0.7924 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6098 1.0684 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1287 1.9917 -0.7351 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0327 0.8161 -0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7890 1.5448 -0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6283 -0.2671 0.7025 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0642 -0.8912 -1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3197 -2.2146 -0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1038 -0.7711 -1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6440 -0.4112 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6767 0.9796 -0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4342 -0.3690 1.7469 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8788 1.2420 1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5320 -1.3543 0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0754 -0.1412 1.8795 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9119 1.6475 0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3646 0.4694 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0165 1.1946 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0407 -0.0799 1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3168 1.5875 1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8723 1.3805 -0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3232 2.3270 -1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1385 -1.0292 0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8791 -0.8149 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3929 0.1060 1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1786 -0.9307 -1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3536 -0.8188 -2.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3879 -3.0346 -0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2930 -2.5244 -1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3825 -2.2891 0.4872 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