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
-4.4236 -2.1504 -0.5669 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8675 -1.0382 0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4410 -0.7398 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8809 0.3639 0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4913 0.7668 0.3172 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4426 -0.3970 0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7822 -0.0223 0.1050 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8011 -0.9531 0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4737 -2.1210 0.5259 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1769 -0.6562 -0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0932 -1.6017 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5947 0.6985 -0.6009 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0195 1.9300 1.1095 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7999 3.1706 0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6391 -2.5780 -1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8073 -2.9678 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2937 -1.7566 -1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8112 -1.3975 1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5065 -0.1547 0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8496 -1.6813 -0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4557 -0.3920 -1.2295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9195 -0.0281 1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6071 1.2016 0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5122 1.0569 -0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4834 -0.7807 1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1172 -1.2350 -0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1378 -1.4313 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8578 -2.6223 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6935 1.2557 -0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0553 1.1896 0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3546 0.6459 -1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0578 2.1491 0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1400 1.7019 2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3128 3.2082 -0.0344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5382 3.3179 1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1241 4.0486 1.0073 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