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
3.6090 -1.2769 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4003 -1.7523 -0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5360 -0.5887 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0839 0.1411 0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2152 1.3038 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0924 1.1585 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0927 0.4039 -0.1487 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2448 -0.9048 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3233 -1.6989 -0.2074 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4780 -1.4587 0.7277 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5375 -2.7412 0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6123 -0.5964 1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9485 2.4444 -0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1139 2.8762 0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5002 -1.9279 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4114 -1.2594 1.2758 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8948 -0.2378 -0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7547 -2.3496 -1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8446 -2.4585 0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7520 -0.9259 -1.7136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1670 0.1149 -1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7048 -0.5153 0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0711 0.5602 0.6239 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0076 1.7568 0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5146 2.2235 -0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9700 0.9119 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4117 -3.1728 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7258 -3.3867 0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7853 -0.6234 2.2226 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5357 -0.8850 0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3635 0.4333 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2099 3.2684 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2166 2.1397 -1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1999 3.9874 0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0776 2.4621 -0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 2.5740 1.1622 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