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
5.5263 -0.2861 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1986 -0.9934 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0330 -0.0736 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7703 -0.8551 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5228 -0.0401 0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6448 -0.9229 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8914 -0.2853 0.1671 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1046 -0.9065 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1044 -2.0997 -0.4242 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3932 -0.2570 0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5248 -0.8931 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4204 1.1696 0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5022 1.1915 -0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7363 2.0206 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7198 -0.3056 1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3043 -0.8422 -0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4337 0.7517 -0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1433 -1.9551 0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1461 -1.2052 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1379 0.8012 -0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0420 0.2315 1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7119 -1.2054 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7571 -1.7168 0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4801 0.2487 1.3223 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6142 -1.7974 0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5531 -1.3304 -1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5613 -1.9142 -0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4522 -0.3813 0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7158 1.3082 1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1783 1.8713 -0.1793 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4186 1.4328 1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5277 0.8110 -1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3748 1.8387 -0.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4866 3.0851 -0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0179 1.8579 0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5142 1.6464 -1.0891 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