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
-3.8232 2.2120 1.2042 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8130 1.1575 1.5459 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2984 0.5171 0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2772 -0.5515 0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7406 -1.2300 -0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0805 -0.2530 -1.5764 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9724 0.4909 -1.1166 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2204 0.1953 -0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5582 -1.0116 -0.6588 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1689 1.2398 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8378 2.5034 -0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5014 0.8331 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0734 -2.5219 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4632 -3.2252 -1.6284 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6737 2.2389 1.9403 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3605 3.2303 1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1833 2.1005 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3017 0.3647 2.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9574 1.5430 2.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7599 1.3086 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1100 0.0589 -0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4344 -0.0772 1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6811 -1.3325 1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7142 -1.5308 -1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1617 -0.7741 -2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8616 0.4980 -1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8656 2.8004 -0.5638 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5317 3.2449 0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2293 1.6509 0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3950 0.3761 1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8394 0.0013 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6571 -2.5070 0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 -3.2362 -0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0309 -4.1225 -1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0338 -2.5651 -2.2911 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4296 -3.6271 -2.1927 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