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
-2.3079 3.1505 -0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6738 1.7176 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5158 0.8414 -0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8387 -0.5941 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8312 -1.6019 -0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5006 -1.3967 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1430 -0.1875 -0.0219 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3814 0.1720 0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9642 -0.6731 1.1872 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0265 1.4396 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3972 2.3056 -0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3619 1.7259 0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4128 -2.9707 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5133 -4.0895 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6979 3.8153 0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2150 3.2425 -0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8057 3.4553 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5881 1.3985 -0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7977 1.5800 1.3477 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5706 1.1864 0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4292 0.9689 -1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8712 -0.8369 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0070 -0.6528 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7515 -1.5542 -1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1386 -2.2551 -0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4250 -1.4666 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8231 3.2700 -0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4211 2.0989 -1.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5818 1.1214 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4762 2.7885 1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1152 1.4262 -0.0466 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5930 -3.0400 1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3917 -3.0770 -0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2687 -4.3155 0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1328 -5.0224 -0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0794 -3.9709 -1.4524 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