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
3.9022 2.0645 0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1234 0.7868 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8218 1.1148 -0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9991 -0.0923 -0.9366 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6056 -0.9178 0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2000 -0.2383 1.2825 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4120 0.3083 1.0080 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6131 -0.1627 0.6135 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6810 -1.4007 0.4549 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8027 0.6677 0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8967 0.0545 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8055 2.1285 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1952 -2.3192 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3362 -3.0745 -0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9821 1.8940 0.3288 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7140 2.4125 1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5134 2.8490 -0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9790 0.3094 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7288 0.1566 -0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0822 1.6919 -1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2172 1.8223 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5729 -0.6575 -1.6905 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1071 0.3030 -1.4954 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6255 -1.1072 0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4117 0.6110 1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2129 -0.9645 2.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7842 0.6349 -0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9799 -1.0127 -0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6208 2.3739 1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0689 2.5689 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8144 2.4503 0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 -2.3515 -0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1454 -2.9372 0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9691 -4.1234 -0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5441 -2.7032 -1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2276 -3.1401 -0.1358 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