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
-4.3047 2.7714 -0.6957 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8975 1.3490 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3821 1.2388 -0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0496 -0.1922 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5907 -0.4819 0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2019 -0.0518 -0.9703 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5882 -0.2884 -0.8396 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3848 0.2536 0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8380 1.0090 0.9806 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8118 -0.0009 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4731 0.5711 1.2451 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5356 -0.8906 -0.6946 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5075 -1.9672 0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8662 -2.4748 0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9117 3.1010 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8491 3.3784 0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4081 2.8272 -0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2087 0.7515 -1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4191 0.9497 0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9149 1.5678 -1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0639 1.9028 0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3091 -0.7494 -0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6939 -0.6746 0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3157 0.0727 1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0167 1.0143 -1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1432 -0.6344 -1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5238 0.3969 1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9878 1.2141 1.9504 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5751 -0.5050 -0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1188 -0.7740 -1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5556 -1.9325 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1381 -2.1680 1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9408 -2.5287 -0.3453 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5150 -2.5040 -0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3535 -1.9994 1.6337 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7361 -3.5514 1.0766 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