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
-3.6597 2.3529 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0097 1.0132 -0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6089 0.3846 1.1195 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9597 -0.9515 0.9356 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7016 -0.9004 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3114 0.0060 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5136 0.0687 -0.0106 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5763 0.8475 0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4036 1.4725 1.5114 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8254 0.9519 -0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0198 0.3080 -1.4583 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9319 1.8004 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1091 -2.2975 0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0408 -3.3243 -0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7507 2.2606 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3284 3.0977 -0.7764 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3643 2.7362 0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6912 0.3317 -0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0987 1.1783 -0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5735 0.2108 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9425 1.0412 1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7033 -1.6351 0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6658 -1.3836 1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9138 -0.5524 -0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0825 1.0534 0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5987 -0.3841 1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9443 0.3792 -2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1947 -0.3108 -1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0787 1.5643 1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8934 1.5356 -0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7107 2.8859 0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8791 -2.3194 -0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0638 -2.5465 1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6134 -2.9734 -1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4358 -4.1996 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6919 -3.7018 0.3745 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