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
-1.2035 0.1897 -2.8678 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8514 -1.1634 -3.3689 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1779 -1.9348 -2.6172 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1306 -2.2527 -1.2296 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2677 -1.1655 -0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9757 -0.3992 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0948 0.6236 0.8186 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4418 1.8029 0.9613 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4511 1.9729 0.1164 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7203 2.8036 1.9845 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0065 3.9032 2.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7692 2.6656 3.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4956 -1.9331 1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6578 -0.9964 2.2632 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1775 0.2094 -2.2904 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4504 0.7105 -2.2713 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4455 0.8725 -3.7432 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5402 -1.0738 -4.4577 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7963 -1.7698 -3.4054 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3426 -2.9191 -3.1638 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1461 -1.3986 -2.7775 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6303 -2.9674 -0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0764 -2.8620 -1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1917 -0.6422 -0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3603 -0.0973 -1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7732 -1.1571 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1370 4.6956 2.7164 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7675 4.0450 1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5061 3.2407 3.9304 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7807 2.9181 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7873 1.5863 3.3457 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4278 -2.5417 1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -2.6298 1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3029 -0.6237 2.6265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3913 -0.1731 2.0171 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1586 -1.5390 3.1120 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