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
-4.2724 1.2824 1.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9348 1.2669 0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9239 0.1118 -0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8135 -0.1077 -1.4206 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4319 -0.3531 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3308 0.6862 -0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6967 0.2215 -0.0860 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5781 1.0408 0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1307 2.1480 1.0181 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 0.6956 0.8822 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7093 1.5354 1.5509 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4659 -0.6074 0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1638 -1.7446 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5456 -2.8151 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5355 0.2158 1.3464 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1107 1.8201 2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0042 1.7913 0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8789 2.2452 -0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1398 1.1456 1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2758 -0.8355 0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8352 0.2893 -1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1482 -0.9387 -2.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8200 0.7923 -2.1463 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1388 -0.4241 -2.0597 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0139 0.8975 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4456 1.6281 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3436 2.4871 1.9076 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7555 1.3219 1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5457 -0.5843 0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9578 -0.9675 -0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3226 -1.3852 1.2026 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9454 -1.8016 -0.3726 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5984 -1.8807 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5909 -3.1168 -1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3996 -2.3684 -2.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1263 -3.6918 -1.4415 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