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
-2.2915 2.9790 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4737 1.5395 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3061 0.6797 0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5585 -0.7192 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 -1.7299 0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8416 -1.4795 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3929 -0.2692 0.1476 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6377 0.1968 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3325 -0.5598 -0.9388 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1843 1.4612 0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4729 2.2338 1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5369 1.8601 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9625 -3.1053 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3066 -3.5081 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6178 3.1954 1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9239 3.5847 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2473 3.2994 -0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3955 1.1291 0.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4307 1.4953 -1.3408 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3085 0.8153 1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4115 1.1566 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6995 -0.7345 -1.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5350 -1.0326 0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5627 -1.8526 1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5116 -2.3475 -0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7360 -1.3955 -1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8598 3.1618 1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4851 1.9354 1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1131 2.3400 0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4880 2.5524 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1574 0.9977 -0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0383 -3.0149 -1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2261 -3.8626 0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2927 -3.5116 1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1450 -2.9274 -0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4731 -4.5630 -0.0428 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