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
-4.1791 1.4017 1.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1908 0.0517 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0587 -0.0756 -0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7693 0.1060 0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5270 0.0489 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6436 0.2670 0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8664 0.2194 -0.0274 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0955 0.3830 0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0792 0.5781 1.8369 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3549 0.3354 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3027 0.1294 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6366 0.5211 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2113 -1.2038 -1.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1662 -1.6693 -2.0356 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6111 2.1016 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2115 1.7224 1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6090 1.2780 2.4401 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1798 -0.1250 0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0479 -0.7817 1.5282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1986 -1.1147 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1819 0.6160 -1.0616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8256 1.1024 1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7532 -0.6236 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5214 0.9072 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5193 1.2170 1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6693 -0.5513 1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2122 0.0891 -2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3679 0.0018 -1.9379 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4775 0.2619 1.6377 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4133 -0.1627 0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9582 1.5906 0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0692 -2.0253 -0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8066 -1.0433 -1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7418 -2.5915 -1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5485 -2.0650 -2.9074 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8012 -0.8969 -2.5046 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