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
-3.9358 1.0314 0.9265 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7703 -0.3111 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0804 -0.1075 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7404 0.4599 -1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5513 -0.1705 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6019 0.8393 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7932 0.2937 -0.1835 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0020 0.9639 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0148 2.1426 -0.5814 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2259 0.3228 0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2323 -0.8966 0.8343 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4775 1.1266 0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4036 -0.9958 0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1378 -2.3048 0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8980 1.3262 1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5545 0.7849 1.8138 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4290 1.7648 0.2568 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8527 -0.5777 -0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3884 -0.9896 0.9088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1750 -1.0199 -1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7273 0.6389 -1.7031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4707 0.8530 -2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8832 1.5070 -0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2369 -0.9569 -1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6354 1.2100 -1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3182 1.6826 -0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1193 -1.3396 1.2082 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3298 -1.5022 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3938 1.8695 1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3721 0.4765 0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5357 1.7039 -0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5853 -0.4675 1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6998 -1.2739 0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8416 -2.4380 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6413 -2.4508 1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4483 -3.1950 0.5587 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