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
-3.8154 -2.2507 0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1403 -0.8773 0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8444 -1.0606 -0.6788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0713 0.2027 -0.8568 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6840 0.8542 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1526 -0.0676 1.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3309 -0.4476 0.6969 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5261 0.1797 0.5042 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6831 1.3538 0.9189 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6622 -0.4304 -0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7945 0.2064 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5293 -1.8106 -0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0538 2.1550 0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0252 3.1092 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3872 -2.3330 1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0644 -3.0569 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5577 -2.3876 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8229 -0.2062 -0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0303 -0.4907 1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1097 -1.4287 -1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2305 -1.8488 -0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1138 -0.0565 -1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6214 0.8816 -1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6671 1.0205 1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4450 0.5343 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4449 -0.9465 1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6470 -0.2242 -0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9351 1.2341 0.0312 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5106 -2.2213 -0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2752 -2.4302 -0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7592 -1.8895 -1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7639 1.9708 -0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3132 2.6459 1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9670 3.1451 0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5440 4.1084 -0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1321 2.8631 -1.5996 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