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
-3.6349 -1.0028 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4905 0.3284 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0157 0.0603 -0.9596 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 -0.5986 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4294 -0.0249 -0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6125 -1.0748 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9137 -0.7646 -0.7855 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4897 -0.6918 0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7935 -0.9541 1.4742 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9050 -0.3144 0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4279 -0.2534 1.8049 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6927 -0.0155 -0.5809 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1460 0.9195 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8210 2.2932 0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6612 -1.3085 1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3724 -0.8986 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0250 -1.7893 0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9154 0.9587 1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5499 0.7072 0.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2008 0.9400 -1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7987 -0.6824 -1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8440 -1.6267 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6174 -0.9898 -2.2207 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1757 0.6841 -1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2980 -2.0318 -0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5893 -1.3797 -2.1667 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8846 -0.4659 2.7198 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4658 0.0228 1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6332 0.5168 -0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0560 0.6424 -1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9161 -0.9758 -1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3625 0.5341 1.2863 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9407 1.1785 0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0631 3.0916 -0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5359 2.3281 -0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2299 2.6376 1.0796 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