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
-4.5733 2.1363 0.7917 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7895 0.8760 0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4264 0.9679 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7714 -0.3482 0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3912 -0.4864 -0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4645 0.5597 0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7858 0.6905 0.0718 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8569 -0.0975 0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7111 -1.1022 1.1317 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2079 0.1692 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1947 -0.6184 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4454 1.3379 -0.9615 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1406 -1.8657 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8075 -2.8837 -0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3077 2.0708 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9101 3.0272 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1590 2.2830 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5591 0.7181 2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3633 0.0302 0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9302 1.8414 0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6182 1.1807 -0.8341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6956 -0.4919 1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4664 -1.1376 0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5619 -0.3235 -1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0381 1.5619 0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4584 0.5028 1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0062 -1.4678 0.8902 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2090 -0.4631 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4045 1.0488 -2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4353 1.8125 -0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6800 2.1329 -0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0833 -1.9893 -0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3054 -2.2388 0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6659 -3.1119 -0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2431 -3.8265 -0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1112 -2.4954 -1.6832 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