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
-2.4506 2.3359 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2692 1.2456 -0.6227 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7499 -0.1436 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3121 -0.3010 -0.7895 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7524 -1.6247 -0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6141 -1.8811 -0.9836 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6546 -1.0985 -0.6016 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9902 0.1613 -0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2690 0.7920 -1.7719 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1527 0.8697 -0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4185 2.0931 -0.7692 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0119 0.1722 0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8351 -1.9867 0.9913 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0826 -1.0002 1.8399 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0842 2.0406 0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0818 3.2334 0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6388 2.5997 -0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3165 1.3628 -0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2105 1.3144 -1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7120 -0.2447 0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4253 -0.8625 -0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3072 -0.0900 -1.8567 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7030 0.4676 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 -2.3965 -1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5355 -1.7841 -2.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8540 -2.9982 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7531 2.5763 -1.4927 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2770 2.6614 -0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6126 -0.6056 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7168 0.8252 1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3906 -0.3692 1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3399 -2.9737 1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8604 -2.0580 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0184 -1.0861 1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4530 0.0343 1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2591 -1.2815 2.8984 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