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
-4.8174 -0.9447 -0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3839 -0.9167 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5541 -0.0841 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1098 -0.0325 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3232 0.8043 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1237 0.9083 0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7883 -0.3521 0.3647 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1461 -0.3898 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7270 0.6965 -0.1528 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9189 -1.6161 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3346 -2.7678 0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3823 -1.5460 -0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8836 2.1887 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9323 2.9792 -0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3922 -0.0448 -0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9192 -1.0827 0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3431 -1.8128 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0110 -1.9573 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3539 -0.4587 -1.8419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6209 -0.5531 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9836 0.9416 0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9929 0.2783 -1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7106 -1.0751 -0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4090 0.3031 1.6998 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2760 1.3499 -0.6248 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5973 1.5858 1.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2810 -2.7702 0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8751 -3.7085 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8281 -2.5543 -0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8267 -0.9189 0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5885 -1.0672 -1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1918 2.7243 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8706 2.1883 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0107 3.5399 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1953 2.3776 -1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 3.7878 -0.2443 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