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
-3.3325 2.2510 -0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3313 1.0737 0.7301 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1043 -0.2219 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9009 -0.4101 -0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5337 -0.4027 -0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0294 0.8443 0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3533 0.7185 0.7562 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3866 0.5210 -0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1569 0.4438 -1.3468 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7826 0.3929 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1273 0.4592 1.6056 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8353 0.1811 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1471 -1.6355 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3214 -2.8515 -0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9648 3.0830 0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3248 2.6622 -0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7569 1.9620 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4153 1.1097 1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6602 1.3407 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3544 -1.0987 0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9852 -0.2940 -0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9676 0.3983 -1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0639 -1.3348 -1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1367 -0.5329 -1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1319 1.6861 -0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5519 0.9714 1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3680 0.6136 2.3548 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1445 0.3631 1.9052 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2667 1.1724 -0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6733 -0.3811 -0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4198 -0.3545 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6528 -1.6760 1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9410 -1.5325 0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2552 -3.7296 0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3778 -3.1594 -0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0610 -2.6331 -1.3355 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