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
-3.6911 2.2666 1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0021 1.3432 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8324 -0.0481 0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1458 -0.9687 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7763 -0.4946 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1411 -0.3824 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4223 0.0614 0.1466 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 0.2550 1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2654 0.0248 2.2523 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7776 0.7136 0.6375 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7550 0.8920 1.4998 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0330 0.9919 -0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1726 -1.4575 -1.6836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0467 -2.8506 -1.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0779 2.4852 1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9084 3.2134 0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6871 1.8762 1.3775 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0097 1.8010 -0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5892 1.3490 -0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3255 0.0138 1.6483 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8410 -0.4606 0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7684 -0.9699 -1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0718 -1.9882 0.1055 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8021 0.5139 -1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2459 -1.3367 1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3110 0.3308 1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6002 0.6945 2.5726 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7282 1.2270 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1046 1.0333 -1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7424 0.2058 -1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5304 1.9784 -0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6962 -1.4570 -2.6443 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8779 -1.1156 -1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5582 -2.8893 -0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9958 -3.3578 -0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5097 -3.4937 -1.8622 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