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
-3.6965 -2.2973 0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4585 -1.8222 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1792 -0.3327 0.6468 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9327 -0.0064 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3455 1.3360 0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9306 1.3246 -0.8447 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8188 0.3219 -0.3649 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0314 0.1564 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2798 0.8975 -2.0182 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0146 -0.8362 -0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1414 -0.9450 -1.2971 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7447 -1.7253 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1537 2.4697 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4875 2.7004 0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8580 -1.8483 1.9829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6270 -2.1137 0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6550 -3.3984 1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5803 -2.3617 0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5567 -1.9237 -0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1449 -0.2049 1.7269 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1046 0.1630 0.2704 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1813 -0.8020 0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1087 -0.2431 -1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0617 1.6114 1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6298 1.0913 -1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4108 2.3187 -0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9101 -1.6594 -1.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3203 -0.2941 -2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4512 -1.0775 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9519 -2.4537 0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6814 -2.2439 0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5079 3.3959 -0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2367 2.3977 -1.6353 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2914 2.3196 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5414 2.2720 1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6077 3.8136 0.1938 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