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
3.9730 -0.1673 2.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3909 -0.0889 0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1382 0.7478 0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4367 0.9228 -0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0063 -0.3528 -1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0460 -1.1560 -0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1409 -0.4284 -0.0883 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1863 -0.9460 0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0832 -2.1023 1.1114 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3706 -0.1337 0.8682 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4939 1.0850 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4951 -0.7295 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3918 -0.0695 -2.5161 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8034 0.8124 -2.4975 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3827 0.8476 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7740 -0.9352 2.1115 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1189 -0.4125 2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1702 0.4238 0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2281 -1.0761 0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4642 1.7652 1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4657 0.3707 1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6542 1.6651 -0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1896 1.3914 -1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9450 -0.9465 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5003 -1.5583 0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2534 -2.0427 -0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7435 1.5627 -0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4014 1.6327 0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4066 -0.1234 1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1572 -0.7326 2.7226 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6005 -1.7727 1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1816 -1.0089 -3.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1909 0.4759 -3.1018 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7230 0.1634 -2.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8845 1.5338 -1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9047 1.3833 -3.4580 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