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
4.8777 0.9956 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4552 1.2657 -0.7845 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6709 0.0132 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2400 0.0854 -0.8934 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6030 -1.2313 -0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8479 -1.3129 -0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6431 -0.3435 -0.2631 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0054 -0.3258 -0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4739 -1.1897 -1.3094 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8971 0.6721 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4400 1.5888 0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3458 0.6374 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8166 -1.5940 0.9222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2477 -0.5791 1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7797 0.4333 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4185 0.3111 -0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4193 1.9138 -0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0734 2.0976 -0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5282 1.4723 -1.8681 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7058 -0.0962 0.6459 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1270 -0.8654 -0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6983 0.9533 -0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1924 0.1948 -1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1311 -2.0135 -1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0068 -1.2443 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2054 -2.3196 -0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3802 1.5895 1.1345 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0779 2.3272 1.3823 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6640 -0.3981 -0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9676 1.0955 0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4775 1.2330 -1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8612 -1.8782 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2215 -2.5401 1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9851 -0.4362 2.7121 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6908 -0.9178 2.3664 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0707 0.4060 1.4332 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