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
-4.5213 -0.8190 -0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0580 -0.1597 0.9002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6786 0.4824 0.7115 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6607 -0.5236 0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2534 -0.0756 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5457 -1.3179 -0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9105 -1.0538 -0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7651 -0.5578 0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2888 -0.3189 1.6912 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1726 -0.2934 0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9261 0.1806 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7825 -0.5487 -1.0334 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0208 0.9859 -0.8642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6721 2.2985 -0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9902 -1.7987 -0.5147 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4321 -0.1671 -1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5930 -1.0772 -0.2331 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0712 -0.8889 1.7099 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7607 0.6589 1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8279 1.1624 -0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4619 1.0482 1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9514 -1.0819 -0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7225 -1.3556 1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1326 0.3113 1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1341 -1.6520 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3777 -2.1412 0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9780 0.3912 1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5412 0.3924 2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6860 -1.1901 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0406 0.4200 -1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0680 -1.0906 -1.7126 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4254 0.5486 -1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0932 1.1247 -0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0044 2.4708 0.3733 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1333 3.0915 -0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4705 2.5444 -1.4061 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