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
-1.9994 0.1273 -2.3064 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9355 0.2010 -1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1050 0.4219 -0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2686 0.5462 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0281 0.5088 1.2543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6603 0.0573 -0.5030 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4746 -0.1572 -1.3153 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6717 -0.2698 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5305 -0.1591 0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5831 -0.2500 1.7837 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8540 -0.4631 1.2824 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9880 -0.5723 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9392 -0.4829 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3728 0.4897 -1.9058 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2002 0.7148 -0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4922 1.4618 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9697 0.4514 1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5599 -0.3246 1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6278 0.7366 -1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3058 -1.0562 -1.9507 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5234 0.0104 1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3703 -0.1498 2.8404 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6787 -0.5338 1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9944 -0.7397 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0501 -0.5690 -2.0283 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