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
2.2898 -2.3595 -0.7304 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8500 -1.0359 -1.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8752 0.1113 -1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4365 0.3229 0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4786 1.4039 0.6154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8585 1.4004 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7581 0.4038 0.2829 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8345 -0.9218 0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8734 -1.4861 -0.4734 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9427 -1.7657 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9759 -1.2390 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8916 -3.2064 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1562 2.7222 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2225 3.9006 0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1245 -3.1033 -0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1033 -2.3497 0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4358 -2.6911 -1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1547 -1.0737 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -0.7530 -0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0155 -0.0847 -1.6981 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4270 0.9953 -1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2135 -0.6203 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4070 0.6593 0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3221 1.4602 1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3567 2.3620 0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8153 1.6340 -1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8137 -1.8558 1.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0755 -0.1812 1.3575 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2295 -3.8098 1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5019 -3.4139 -0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8566 -3.5693 0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3755 2.6288 -0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1052 2.8667 0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3251 3.8054 1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4934 4.0206 -0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8595 4.8231 0.4028 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