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
-4.6788 0.2627 0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7253 1.4251 0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3155 0.9901 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8002 0.0133 1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4102 -0.4556 0.7825 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6040 0.6449 0.7454 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8722 0.0742 0.4723 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0268 0.8524 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8746 2.0891 0.5440 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3318 0.2771 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5027 -1.0115 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5011 1.1780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3405 -1.3360 -0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2265 -2.5353 -0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6754 0.5476 -0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8738 -0.0548 1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3125 -0.5825 -0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1162 2.1755 -0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7149 1.9080 1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6892 1.8967 -0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3647 0.5451 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4678 -0.8828 1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9277 0.4289 2.0693 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1202 -1.1242 1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3952 1.3389 -0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5976 1.1506 1.7208 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4852 -1.4025 -0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6735 -1.7048 -0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3890 1.9375 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4073 1.7432 -0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4664 0.6380 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6654 -0.7726 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6957 -1.7060 -0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1777 -2.8445 0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9240 -3.3860 -0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2965 -2.3175 -0.4420 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