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
-4.0017 -2.6994 -0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6449 -1.2644 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -0.9441 -0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8960 0.4766 -0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5735 0.8219 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4847 -0.0728 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7688 0.2043 0.2741 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8665 -0.5410 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6563 -1.4444 -0.9880 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1980 -0.2960 0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4269 0.6428 1.3044 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3448 -1.1136 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3110 2.2846 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4562 3.0639 0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5662 -2.7076 0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0304 -3.2483 -0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6007 -3.1134 -1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5140 -1.1830 -1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3633 -0.5469 -0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5929 -1.6797 -0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3268 -1.0904 1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7387 0.5582 -1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6982 1.1726 -0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7091 0.7209 1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2576 -1.1132 0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4725 -0.0556 -1.3718 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5836 1.2341 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3875 0.8363 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2833 -0.5514 0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2185 -1.2369 -1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3563 -2.1205 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6167 2.6469 0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3288 2.5314 -1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2809 3.2205 -0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1281 4.0680 0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8642 2.5396 1.5110 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