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
2.4453 2.4361 -0.8178 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0971 1.8037 0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1939 0.7874 1.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8840 -0.2873 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9815 -1.3586 0.6161 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3276 -0.8332 1.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0945 -0.2197 0.0913 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3320 0.2978 0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7776 0.2302 1.6164 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1844 0.9559 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7429 1.0417 -1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5069 1.5148 -0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 -2.4705 -0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0442 -3.6162 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7200 1.8722 -1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8656 3.4666 -0.9696 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3657 2.4774 -0.6385 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3353 2.6476 1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0713 1.3316 0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7800 0.3289 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2661 1.2830 1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4430 0.1570 -0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8551 -0.7303 -0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5206 -1.7559 1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9116 -1.6513 1.5174 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1176 -0.1233 1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7834 0.6473 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3493 1.5193 -2.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8153 2.2319 -0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3014 0.7433 -0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5089 2.0451 0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6211 -2.0410 -1.3662 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9448 -2.8610 -0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3947 -3.5633 1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7797 -3.7102 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5959 -4.5967 -0.0168 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