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
-2.2261 2.2968 -0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9333 0.9701 -0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3527 0.1782 -1.4758 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8750 -0.1410 -1.2898 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6702 -0.9309 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6851 -1.3840 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7061 -0.5078 0.5130 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4053 0.3151 -0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1070 0.2985 -1.5322 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4808 1.2114 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1060 1.9763 -0.7318 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8910 1.2907 1.5542 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -2.1726 -0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3641 -3.0024 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4381 2.2235 0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8864 2.6277 -1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9372 3.0918 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9842 0.4054 0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9810 1.2239 -0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4445 0.8522 -2.3733 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9654 -0.7258 -1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4996 -0.6539 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3805 0.8683 -1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1199 -0.3239 0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5572 -1.9524 1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9475 -2.2321 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9012 2.6528 -0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8094 1.9277 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0597 0.9492 2.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2477 2.3047 1.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7607 0.6084 1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3054 -2.7822 -0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6374 -1.8639 -0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3132 -2.2747 2.0154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2615 -3.6532 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5068 -3.6718 1.1101 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