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
-4.4216 1.6335 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8617 0.6827 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4065 0.3735 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8166 -0.5752 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3966 -0.9318 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4669 0.2778 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8316 -0.0244 0.4259 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8181 0.9321 0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4802 2.1202 0.5873 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2172 0.6391 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6645 -0.5751 -0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1748 1.7750 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2427 -1.6237 -0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0519 -2.8853 -0.6604 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6715 1.8486 -1.4869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6989 2.6128 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3490 1.2444 -1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4812 -0.2182 0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8972 1.1621 1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8637 1.3627 0.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3806 0.0287 -1.0598 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4555 -1.4702 1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7974 -0.0160 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0823 -1.6947 1.4361 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0739 1.0090 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4331 0.7769 1.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0131 -1.4282 -0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7102 -0.7326 -0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2281 1.4172 0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0383 2.4458 0.9671 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0666 2.4139 -0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4868 -0.9709 -1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8239 -1.9051 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5996 -3.5649 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9564 -3.4175 -1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1224 -2.7220 -0.4656 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