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
-1.5638 1.3014 2.3302 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7440 0.7456 1.2167 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0942 0.5920 0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1629 1.0270 1.2682 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2257 -0.0729 -0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6193 0.2843 0.5527 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6905 0.4289 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7214 -0.1323 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0964 -1.4345 0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0758 -1.9185 -0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6341 -1.0751 -1.4429 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2634 0.2416 -1.5772 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2892 0.7108 -0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1479 1.5205 2.2271 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1209 0.8877 0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4187 -1.1716 -0.5625 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0748 0.3175 -1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3061 0.1301 -1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7554 -0.0325 2.1129 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8478 1.5169 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6195 -2.0446 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3706 -2.9578 -0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3888 -1.4762 -2.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7309 0.8626 -2.3278 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9946 1.7490 -0.8277 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