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
-3.2632 -1.9715 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7695 -1.1567 -1.3678 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7143 0.3092 -1.1586 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9530 0.8549 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5003 0.6653 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0849 -0.7270 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3145 -0.8974 0.5418 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2431 -0.5603 -0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8128 -0.0792 -1.4945 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6812 -0.7169 -0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4800 -0.3617 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2735 -1.2673 1.0026 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1093 1.5482 1.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4293 2.9975 1.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6748 -2.9361 -0.6443 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0909 -1.4031 0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5201 -2.2822 0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9117 -1.5171 -1.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6714 -1.2628 -2.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3213 0.7751 -2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8041 0.6804 -1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2066 1.9891 -0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5156 0.5627 0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0739 1.1677 -0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5993 -1.0907 1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4361 -1.3919 -0.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1583 0.0516 -2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5456 -0.4737 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3112 -0.9140 1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6387 -1.0081 1.8789 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3306 -2.3858 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9489 1.4261 1.5913 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6938 1.2487 2.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2729 3.2861 0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2114 3.5959 1.7882 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4811 3.2451 1.3977 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