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
-3.7989 2.2989 0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5275 1.8731 -0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0753 0.5287 0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8482 0.1037 -0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2737 -1.2084 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9752 -1.5018 -0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9879 -0.5537 -0.5443 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6137 -0.2207 0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2656 -0.8074 1.6811 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6556 0.7764 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2260 1.0614 1.8446 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0715 1.4728 -0.5409 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1890 -2.3817 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6569 -2.6033 -1.4541 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7206 1.8944 1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9256 3.3779 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6351 1.7333 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7371 2.6517 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7660 1.8504 -1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0277 0.5861 1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9047 -0.1896 0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0825 0.0415 -1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0828 0.9026 -0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0132 -1.1420 1.1753 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6560 -1.4544 -1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3062 -2.5393 -0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9092 0.5419 2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0118 1.8109 1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4677 1.1534 -1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9659 2.5696 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1340 1.2152 -0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5764 -3.2848 0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0293 -2.3863 0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8082 -2.8410 -2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2896 -3.5379 -1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3044 -1.7917 -1.8312 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