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
-2.7909 -0.0010 -2.2001 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4736 -1.2046 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3145 -0.9812 -0.4194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5909 0.1217 0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5268 0.4132 1.5418 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8028 0.8192 0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4078 -0.1378 0.1439 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6441 0.1818 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1593 1.2953 -0.1656 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3403 -0.7394 -1.2779 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8073 -1.9249 -1.5545 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6520 -0.3699 -1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9421 1.5624 2.4759 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1899 1.2281 3.2277 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9266 0.5230 -2.6051 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4071 -0.3493 -3.0713 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4463 0.6685 -1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3900 -1.5223 -0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1742 -2.0542 -2.0402 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4165 -0.7541 -1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1192 -1.9506 0.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9194 1.0659 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4996 -0.1920 1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3958 -0.5113 2.1612 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6632 1.7368 0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5111 1.1510 1.7647 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3408 -2.6068 -2.2023 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8464 -2.1874 -1.1255 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7586 0.7270 -2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4657 -0.6623 -1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8308 -0.8453 -2.8266 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1204 1.7069 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1168 2.4838 1.8993 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1180 1.5968 2.7434 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2438 0.1084 3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1079 1.6043 4.2676 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