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
-4.0740 0.7051 -0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8467 1.4153 -0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8170 0.4716 -1.2871 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3495 -0.5359 -0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7296 0.1660 0.9222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4562 0.9980 0.5501 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4963 0.2699 -0.0326 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6539 0.9115 -0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7134 2.1685 -0.2307 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7813 0.2390 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7307 -1.0540 -1.2423 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9856 0.9915 -1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3547 -0.8722 1.9598 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5993 -1.6158 2.3957 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1843 -0.2444 -0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0002 0.4693 0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9798 1.3498 -0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4694 2.0862 0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1762 2.0644 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9294 1.0848 -1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2280 -0.0198 -2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1718 -1.1967 0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6218 -1.2070 -0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5006 0.8433 1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1556 1.8870 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8648 1.4143 1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 -1.6316 -0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5683 -1.5766 -1.7004 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9302 0.5165 -1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1271 1.0644 -2.5252 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9988 2.0247 -1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3227 -1.6256 1.5002 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1577 -0.3959 2.8351 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4898 -2.0791 3.3881 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7774 -2.4260 1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4815 -0.9379 2.3366 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