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
-2.2651 2.5410 0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1154 1.3034 0.8506 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6628 0.2546 -0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2540 -0.1031 0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6417 -1.1227 -0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7829 -1.4002 -0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5700 -0.1998 -0.3795 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9144 -0.2116 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3904 -1.3161 0.3317 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7424 0.9997 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0068 0.9059 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2058 2.3046 -0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3980 -2.4217 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5025 -3.0796 0.5718 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2566 2.4164 1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3069 2.9149 -0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7717 3.3159 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1645 1.6158 0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1717 0.8773 1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7069 0.7555 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3752 -0.5786 -0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1830 -0.3594 1.2409 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6434 0.8339 0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6051 -0.7170 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1887 -2.1386 -1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8556 -1.7452 0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4510 -0.0232 0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6272 1.7839 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5727 3.1159 0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0925 2.3272 -0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5904 2.4780 -1.5672 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8730 -3.1514 -1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4159 -2.3220 -1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4052 -3.7464 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6319 -3.7526 0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6403 -2.3546 1.3821 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