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
-4.4603 1.7848 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8629 0.6118 -0.7108 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4591 0.4143 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7419 -0.7108 -0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3771 -0.8582 -0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4353 0.3796 -0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 0.2350 0.1729 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6120 1.3104 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2030 2.3526 -0.4859 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9404 1.2296 0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7489 2.2611 0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3603 -0.0393 1.2982 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3582 -2.0714 -0.7331 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4238 -3.3177 -0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5665 1.6608 0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1473 1.7738 1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1297 2.7516 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8358 0.8821 -1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4522 -0.2972 -0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9445 1.4065 -0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5457 0.2284 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3677 -1.6175 -0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6278 -0.5683 -1.9175 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5341 -1.0281 0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4879 0.6865 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0009 1.2314 0.2066 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4117 3.1573 0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7592 2.2720 0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4390 -0.1583 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1165 -0.0257 2.3664 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8418 -0.8865 0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3178 -2.1259 -0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5691 -2.0247 -1.8086 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7296 -3.2311 0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3313 -3.4455 -1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1892 -4.2234 -0.5307 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