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
-4.5139 -1.1319 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6558 -1.0349 1.4119 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1795 -1.0554 1.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8386 0.1145 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3882 0.1469 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5266 0.2626 1.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8941 0.2954 0.6836 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5515 -0.7251 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8977 -1.7488 -0.2870 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9957 -0.6327 -0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5954 -1.6221 -0.9051 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7801 0.5643 0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1708 1.2900 -1.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5488 2.6223 -0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0934 -1.9042 -0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5047 -1.5257 0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6927 -0.1705 -0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8723 -0.1418 1.9954 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8780 -1.9254 2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6497 -0.9172 2.0645 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8553 -1.9983 0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4137 0.0311 -0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1906 1.0489 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1488 -0.7790 -0.7255 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3087 1.2675 1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3213 -0.4664 1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6402 -1.5553 -1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0279 -2.4897 -1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1338 1.4654 0.1424 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2736 0.4710 1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5382 0.7953 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8912 1.3492 -1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7482 1.0917 -2.0785 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2590 3.3936 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8659 2.5849 0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4260 3.0298 -1.1578 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