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
-1.5177 -0.8451 -0.3187 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5143 0.0983 0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6235 1.0435 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5897 0.9199 -0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6786 2.1853 1.4047 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4856 0.1767 1.4023 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5955 -0.6885 1.5083 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4408 -0.7734 0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3190 0.0945 -0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1167 -0.0062 -1.8846 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0811 -0.9833 -1.9848 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2179 -1.8572 -0.9261 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4122 -1.7453 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3823 1.6410 -0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5867 0.1174 -1.1331 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6041 2.7754 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7548 2.8128 1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7527 1.7377 2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2938 -1.7396 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2065 -0.3483 2.3932 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5704 0.8761 -0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9919 0.6871 -2.6987 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7296 -1.1048 -2.8334 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9743 -2.6309 -0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5405 -2.4429 1.0002 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