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
-3.4243 2.3048 -0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4187 0.8412 -0.8976 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0995 -0.0563 0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7878 0.1787 0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5594 -0.0311 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5720 0.3672 0.9679 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8484 0.3291 0.6082 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8172 -0.5638 0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5166 -1.7719 0.4406 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1905 -0.2031 -0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0376 -1.1623 -0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6044 1.1960 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3321 -1.4327 -0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4073 -2.1008 -1.2009 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9563 2.8406 -1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3999 2.7309 -0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9974 2.4947 0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6880 0.7512 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4163 0.6180 -1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3927 -1.0714 0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8715 0.2473 1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6534 -0.5531 1.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7534 1.1682 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5759 0.6142 -0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3084 -0.1775 1.9233 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3053 1.4425 1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7458 -2.1878 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0439 -0.9438 -0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6763 1.5193 -1.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9337 1.8901 0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6117 1.3119 0.2261 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5517 -1.3999 -1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1519 -2.0719 0.4769 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9960 -2.8205 -0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0034 -1.4793 -1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8785 -2.8188 -1.9194 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