Monomers
Benzyl methacrylate
Identifiers
IUPAC name
benzyl 2-methylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InchI Key
AOJOEFVRHOZDFN-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)OCc1ccccc1
Canonical SMILES
CC(=C)C(=O)OCC1=CC=CC=C1
Isomeric SMILES
CC(=C)C(=O)OCC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.3059
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
25 25 0 0 0 0 0 0 0 0999 V2000
-2.1260 1.7904 0.8579 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9687 0.6639 0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1149 -0.1578 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9540 -1.3571 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4830 0.3906 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6934 0.1752 0.1418 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3982 1.0221 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6954 0.3668 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2789 0.5106 -1.0895 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4764 -0.0729 -1.4314 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1580 -0.8463 -0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5792 -0.9942 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3790 -0.4079 1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9725 -1.7380 -0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7882 -1.9985 -0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7525 0.1327 1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2230 0.0320 -0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4229 1.5059 0.3086 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2758 1.9591 -0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3947 1.3314 1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7448 1.1225 -1.8186 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9218 0.0521 -2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1129 -1.3215 -0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1276 -1.6126 1.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9562 -0.5485 2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 3
3 5 1 0
2 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 8 1 0
4 14 1 0
4 15 1 0
5 16 1 0
5 17 1 0
5 18 1 0
7 19 1 0
7 20 1 0
9 21 1 0
10 22 1 0
11 23 1 0
12 24 1 0
13 25 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers