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
-3.2843 -2.1968 0.5574 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7444 -1.0975 -0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8914 0.1484 -0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4673 -0.0968 -0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6985 1.1919 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7491 0.9948 -0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3921 0.0595 -0.0408 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7282 -0.2355 -0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2909 0.3784 -1.2030 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4662 -1.1875 0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8301 -1.7889 1.5607 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8957 -1.5001 0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7970 1.8778 0.8015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0267 3.1476 0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9944 -2.3257 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3792 -3.1622 -0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2709 -2.0919 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7751 -0.8099 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8090 -1.4049 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3720 0.9367 -0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9028 0.5062 0.8056 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3465 -0.4433 -1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9603 -0.8258 0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1264 1.8802 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2827 1.9651 -0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8492 0.7507 -1.9533 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3136 -2.5096 2.2171 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7894 -1.5977 1.7633 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3984 -1.8315 1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3838 -0.5210 0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0604 -2.1651 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4500 1.2685 1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8587 2.2201 0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4114 3.8728 1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0706 2.9955 1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0125 3.5977 -0.2526 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