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
3.0690 -2.4692 -1.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9834 -2.2161 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7087 -0.7263 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4117 -0.4134 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9974 1.0228 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2994 1.3076 -0.8987 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3708 0.5290 -0.3781 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6527 0.6564 -0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8412 1.4767 -1.8149 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7829 -0.1233 -0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9775 0.0485 -0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6237 -1.1044 0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0335 1.4658 1.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6288 2.8897 1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0429 -2.6741 -1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6599 -3.3875 -1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4390 -1.5948 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1587 -2.8364 0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9058 -2.5377 0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6421 -0.5715 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5664 -0.1839 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6380 -1.0966 0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4950 -0.7356 -1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7790 1.6291 -0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2597 1.1556 -1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5547 2.3748 -0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7964 -0.5291 -0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1545 0.7591 -1.7189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8966 -0.7662 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3251 -2.0724 0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6017 -1.2590 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3582 0.8383 1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1030 1.3878 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4720 2.9406 1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1353 3.2868 2.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8529 3.5288 0.5262 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