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
4.8425 0.6171 -0.8975 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9901 0.6930 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5309 0.3008 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7953 0.4141 1.2812 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3045 0.0481 1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2889 0.9811 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6197 0.8995 -0.1195 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2030 0.0480 -1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4731 -0.7765 -1.6334 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6437 0.0439 -1.2947 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1679 -0.7881 -2.1605 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5010 1.0038 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0815 -1.3948 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3209 -1.9059 1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8984 0.3324 -0.6911 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8731 1.6262 -1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3684 -0.1312 -1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9639 1.7464 0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3995 0.0306 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2240 0.9307 -0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6026 -0.7882 -0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8839 1.4805 1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3074 -0.2071 2.0431 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0637 0.4084 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1551 2.0628 0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2741 1.0206 -0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2313 -0.7549 -2.3338 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6087 -1.5144 -2.7215 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9137 1.6127 0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2602 0.4217 -0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0514 1.6505 -1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6327 -1.9052 2.0628 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5860 -1.9100 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5883 -2.5135 0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3931 -2.6448 2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0751 -1.1384 1.5358 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