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
2.2824 -1.6945 0.1800 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0262 -0.4765 -0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0945 0.4850 -0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8459 1.7607 -0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5007 0.0195 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6804 -0.1375 -0.0372 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3286 -1.1371 0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6747 -0.5744 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7641 -1.3853 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0540 -0.8789 0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2021 0.4645 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1443 1.3251 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8776 0.7603 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8333 2.1652 -0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6357 2.4693 -0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7305 -0.5125 0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6511 -0.6664 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2017 0.8689 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1168 -1.5315 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2031 -1.9862 -0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6827 -2.4647 0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9088 -1.5377 0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2073 0.8606 -0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3004 2.3768 -0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0181 1.4271 -0.2530 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