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
-2.0709 -2.0709 1.3414 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9705 -1.4470 0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2094 -0.5555 -0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5072 0.5628 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7851 1.4220 -0.9384 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2275 0.5610 -1.6601 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0960 0.0593 -0.6346 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1426 -0.7721 -0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2779 -1.0496 -2.1996 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0454 -1.3012 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0265 -2.0914 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8592 -0.9579 1.4576 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0160 2.5267 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8812 3.4329 0.5558 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3554 -3.1399 1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1532 -1.5415 2.3134 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0119 -2.0100 1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8197 -0.9042 0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3785 -2.2841 -0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9574 -0.1954 -1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5034 -1.2316 -1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7095 0.0972 0.6997 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1626 1.1269 0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4619 1.9469 -1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8952 1.2531 -2.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1913 -0.2219 -2.2892 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1703 -2.3485 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7394 -2.5224 0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4667 -1.8733 1.9764 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8662 -0.7670 1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2282 -0.0791 1.6107 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4355 3.1528 -1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8510 2.1463 0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3070 4.3805 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 2.9910 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7345 3.7054 -0.0947 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