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
3.3526 0.1015 1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9034 -0.6962 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2017 -0.5904 -0.9435 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7965 -0.9893 -1.0026 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7715 -0.2647 -0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6037 -0.9405 -0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5936 -0.2194 0.2595 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9221 -0.5927 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1988 -1.6011 -0.4807 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9623 0.1020 0.9752 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1911 -0.3213 0.8947 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6468 1.2785 1.8138 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5402 1.1781 -0.6235 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1049 1.2910 -2.0452 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8665 1.0128 1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2389 0.4572 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7761 -0.5046 2.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9751 -0.3554 0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0205 -1.7775 0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4274 0.4317 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7962 -1.2626 -1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4621 -1.1106 -2.0773 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7609 -2.0777 -0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8861 -0.3042 0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9058 -0.8601 -1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5657 -2.0014 -0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4494 -1.1717 0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9696 0.1821 1.4346 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5830 1.7928 2.1245 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1192 2.0150 1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0190 0.9907 2.6784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3583 1.4847 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3208 1.8753 -0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 1.5165 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2707 0.3796 -2.6398 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6077 2.1498 -2.5580 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