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
-4.4123 1.7054 0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0832 1.4130 0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9951 -0.0413 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8666 -0.6438 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5233 -0.6696 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0530 0.6493 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3654 0.7354 0.6043 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5182 0.6247 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4938 0.4420 -1.3293 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8458 0.7052 0.5711 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8982 0.8924 1.8591 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0459 0.5726 -0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4354 -1.5674 -0.9113 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0887 -3.0159 -0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3742 2.7343 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2182 1.5246 0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5062 0.9418 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3158 1.9371 0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2494 1.9419 -0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1165 -0.5454 0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9994 -0.3671 -0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1927 -1.6818 -1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8157 -0.1125 -1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6383 -1.2357 0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5641 1.0301 1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1903 1.4405 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8649 0.9544 2.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0118 0.9872 2.4475 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3262 -0.5073 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8670 1.0889 -1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9318 1.1095 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3599 -1.6313 -0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6602 -1.2800 -1.9422 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8413 -3.1755 -1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4772 -3.3112 0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7907 -3.6443 -1.1624 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