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
-2.1392 1.5611 1.0718 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9753 0.5651 0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1490 -0.0932 -0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0704 -1.1467 -1.0118 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4916 0.4540 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6786 0.1282 0.0645 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3864 0.8276 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7055 0.2832 0.2977 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4033 0.7259 -0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6466 0.2030 -1.1304 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2367 -0.7717 -0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5534 -1.2198 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3115 -0.6912 1.0636 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9696 -1.5869 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1273 -1.5765 -1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6129 1.3905 -0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5120 0.6415 1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3099 -0.2127 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2947 0.8323 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3473 1.8710 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9414 1.4977 -1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1959 0.5431 -1.9976 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2118 -1.1871 -0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0266 -1.9905 1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7747 -1.0477 1.9418 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