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
4.2405 1.6938 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2142 0.2037 -0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7814 -0.2279 -0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9395 0.1618 0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4662 -0.1927 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0509 0.5154 -0.6867 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4076 0.3072 -0.9954 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4704 0.6283 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1334 1.1523 0.9512 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8625 0.4036 -0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1987 -0.1324 -1.6502 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9142 0.7857 0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3797 -1.6839 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9957 -2.2413 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1228 1.9325 1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2173 2.1068 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3793 2.1217 -0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8721 -0.0093 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5766 -0.3386 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8406 -1.2945 -0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5214 0.3794 -1.3922 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2948 -0.2850 1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0227 1.2679 0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0919 0.1400 1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1721 1.6134 -0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5058 0.2674 -1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2150 -0.3233 -1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4271 -0.4087 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9111 0.4033 0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6491 0.5760 1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0016 1.9104 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7651 -2.0625 1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0263 -2.1390 -0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8997 -3.3552 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6578 -1.8472 1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4517 -2.0293 -0.6880 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