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
-4.7568 -0.8108 0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3727 -0.8600 -0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0642 -0.1652 -0.9828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9100 -0.7487 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6003 -0.0597 -0.5622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5250 -0.7307 0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7737 -0.1270 -0.0292 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9006 -0.6040 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7608 -1.5856 1.4014 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1984 -0.0190 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3352 0.9883 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3802 -0.5594 1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6390 1.3964 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6857 2.0995 -0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8804 -0.8977 0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4105 0.0757 1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3773 -1.7620 1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1647 -0.2997 -1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3910 -1.8943 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1522 0.9186 -0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8909 -0.2843 -2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8267 -1.8452 -0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0728 -0.5694 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3966 -0.1624 -1.6432 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -0.6822 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5451 -1.8292 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2835 1.4687 -0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4646 1.3888 -0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1479 -0.8219 2.1289 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6724 -1.5012 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2508 0.1444 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4663 1.9650 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7318 1.4390 0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3494 2.1106 0.4165 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4399 3.1780 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1073 1.6467 -1.3697 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