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
-1.8807 2.8147 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0196 1.3376 -0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5409 0.4872 0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6924 -0.9658 0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9367 -1.4365 -0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5302 -1.2624 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9808 0.0655 -0.4204 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3760 0.2233 -0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1381 -0.7763 -0.3622 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9547 1.5332 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2547 1.6803 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0707 2.7146 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2097 -2.9313 -0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7793 -3.7135 0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3338 2.9034 0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3256 3.3234 -0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8939 3.2042 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4448 1.0469 -1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0762 1.0533 -0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1750 0.7171 1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5211 0.7583 1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7955 -1.1364 0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4294 -1.5299 1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3661 -0.9297 -1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9107 -1.8344 0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0829 -1.6269 -1.5075 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7339 2.6512 0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9515 0.8420 -0.0715 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5825 3.6432 -0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7737 2.8523 1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1276 2.5631 -0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3115 -3.0135 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7378 -3.3028 -1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0518 -4.4856 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3127 -3.1839 1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6333 -4.2860 0.7744 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