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
-2.2589 0.4009 2.2119 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9154 -0.0308 0.9538 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9607 -0.4759 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0659 0.6602 -0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0570 0.4611 -1.5445 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9961 -0.5785 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8686 -0.4661 -0.3707 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8603 -0.5430 0.9632 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7785 -0.8039 1.5372 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0507 -0.3388 1.8061 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2130 -0.0618 1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9783 -0.4371 3.2825 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5687 0.5657 -2.9733 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6133 -0.3996 -3.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7116 1.3540 2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1002 0.6797 2.9213 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6550 -0.3895 2.6883 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5923 0.7856 0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6047 -0.8970 1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5561 -0.8226 -1.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4537 -1.3860 0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7096 1.5351 -0.8619 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6109 1.0716 0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5679 1.4496 -1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5472 -1.6248 -1.4894 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6281 -0.4750 -2.3596 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2897 0.0139 0.1911 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1025 0.0936 1.8299 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9285 -0.5644 3.6116 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5627 -1.2893 3.6887 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3995 0.5296 3.6766 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2995 0.4854 -3.6245 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9884 1.5890 -3.0896 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6660 -0.0422 -3.2531 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5211 -0.4968 -4.4987 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4617 -1.4467 -3.0266 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