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
-4.3023 1.2395 0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9206 0.0566 -0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3993 -0.1267 -0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9106 -0.3172 0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4287 -0.5126 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3596 0.6474 0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7449 0.3879 0.2623 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7131 1.2915 -0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3710 2.3846 -0.6648 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1279 1.0114 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5025 -0.1383 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1421 1.9762 -0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0389 -1.7747 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7396 -2.9690 0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5221 1.0212 1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2390 1.6885 -0.3613 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4993 2.0236 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3285 -0.8872 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3281 0.1796 -1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9332 0.7640 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2580 -1.0382 -1.4663 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4375 -1.1810 1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2379 0.5749 1.1523 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1823 -0.6621 1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1724 0.7190 -0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1424 1.5978 0.6149 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7788 -0.8687 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5383 -0.3697 0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8309 1.5331 -1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7274 2.2914 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6616 2.8667 -0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0576 -1.9573 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3550 -1.6838 -1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7955 -2.9446 0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7093 -2.9190 1.6498 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3049 -3.9050 0.1376 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