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
-4.5640 1.6952 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1413 1.6513 -0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4802 0.4419 0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0473 0.2891 -0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4577 -0.9078 0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9618 -1.1821 0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8308 -0.1140 0.3656 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1923 -0.1479 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6186 -1.1965 -0.4451 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0942 0.9446 0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6838 2.0506 1.0028 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5336 0.7920 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2632 -2.1574 0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4019 -2.5202 -1.2435 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2511 2.2251 -0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9529 0.6409 0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5131 2.0765 1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6132 2.5869 -0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2221 1.4586 -1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0973 -0.4286 -0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5063 0.5966 1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4447 1.1672 -0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0805 0.1007 -1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4653 -0.7139 1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0619 -1.3416 -1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2611 -2.1317 0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6319 2.1562 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3459 2.8441 1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7154 -0.1129 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9223 1.6645 -0.4793 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1189 0.6932 1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7590 -3.0291 0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2794 -2.1315 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9890 -3.4669 -1.2853 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4380 -2.7302 -1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0049 -1.7629 -1.7783 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