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
5.0234 0.0877 -1.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9390 0.6408 -0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5908 0.0016 -0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5983 0.6442 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1993 0.0788 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6336 0.8399 1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9769 0.5085 1.1596 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7703 0.6840 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2565 1.1470 -1.0150 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2091 0.3395 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7889 -0.1452 1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0149 0.5442 -1.1694 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1189 -1.3876 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5108 -1.8177 1.7291 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3213 0.8199 -2.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7116 -0.8354 -1.7991 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9207 -0.1717 -0.6776 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2404 0.4868 0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8716 1.7555 -0.5544 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2994 0.1603 -1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7093 -1.0829 -0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9086 0.6311 1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5260 1.7165 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1232 0.2916 -0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5436 1.9172 0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1242 0.6680 2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8362 -0.3858 1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2734 -0.3268 2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3957 0.7070 -2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6840 -0.3496 -1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6763 1.4441 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7936 -1.9068 -0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9015 -1.7474 0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6298 -1.7369 1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2971 -2.9034 1.8279 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0018 -1.3170 2.5552 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