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
-4.9108 -0.7180 0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3348 0.6627 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9587 0.6333 -0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9757 -0.1439 0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6139 -0.1445 -0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2790 -0.9430 0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6074 -1.1447 0.2442 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6904 -0.3375 0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4549 0.7577 1.1261 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0577 -0.6976 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3360 -1.8198 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1534 0.2296 0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1759 1.1984 -0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0640 1.1970 -1.6001 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2045 -1.5259 0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3102 -0.8160 1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7833 -0.8896 -0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3006 1.2107 1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9964 1.2184 -0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6342 1.7202 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9885 0.3709 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2097 -1.1976 0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7700 0.3306 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8738 -0.7229 -1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1083 -0.6071 1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1774 -2.0110 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5393 -2.4919 -0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3389 -2.0804 -0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9918 0.2028 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5974 0.0155 1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8146 1.2948 0.5823 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0515 1.8499 0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9487 1.7685 -1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8080 1.6543 -2.6092 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3919 0.1769 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8828 1.7992 -1.2261 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