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
-3.7137 -2.2822 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6647 -1.2962 1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9830 -0.7772 -0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9517 0.1889 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1131 0.8393 -0.8699 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8998 1.8041 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7842 1.2315 0.6365 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6871 0.2533 0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7281 -0.1586 -0.8751 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6111 -0.3260 1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4615 -1.2669 0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6006 0.1243 2.7067 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 1.5771 -1.9638 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7058 0.7708 -2.8454 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1657 -3.0369 -0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3887 -1.7516 -0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2542 -2.7557 1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1236 -0.4417 1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 -1.8203 1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8381 -0.2334 -0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6535 -1.6732 -0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2864 -0.2517 0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4990 1.0070 0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5151 0.0442 -1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2661 2.5402 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 2.4226 -1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4801 -1.6121 -0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1566 -1.7299 1.6041 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 -0.7611 3.3902 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4749 0.7609 2.9634 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6584 0.6841 2.8803 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0362 2.0654 -2.6476 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4028 2.4391 -1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4872 0.9736 -3.9443 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5368 -0.3174 -2.7392 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7826 1.0305 -2.7456 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