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
-4.5947 2.0052 0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8858 0.6936 0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4495 0.8471 0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8679 -0.5426 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4564 -0.5914 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4941 0.2070 0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7844 0.0693 -0.1338 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8575 0.7061 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6399 1.3858 1.4938 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2104 0.6249 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4394 -0.0887 -1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3183 1.3320 0.6399 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0091 -2.0504 -0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8963 -2.9360 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3976 1.8895 1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9415 2.8393 1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1372 2.2083 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4208 0.0700 -0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8073 0.1703 1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8694 1.5575 0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5482 1.2492 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4821 -1.1316 -0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9641 -1.0633 1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3666 -0.3234 -1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5316 -0.1872 1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2422 1.2650 0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6235 -0.6126 -1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4587 -0.1382 -1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2706 1.1428 0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1251 2.4398 0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3809 0.9945 1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0606 -2.3772 0.7511 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0259 -2.1758 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9492 -2.4701 -2.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4065 -3.9256 -1.2305 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8919 -3.0827 -0.7528 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