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
2.3250 1.7370 0.0874 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0414 0.5065 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1039 -0.4986 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7532 -1.7598 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5213 -0.0606 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7018 0.1740 -0.0504 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3153 1.1749 -0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6462 0.5690 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8632 -0.7925 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1125 -1.3484 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2115 -0.5151 -0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0117 0.8500 -0.3283 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7416 1.4066 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5140 -2.5175 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7206 -2.0229 -0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5954 0.9771 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9081 -0.1112 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1164 -0.6892 -0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0808 1.8305 -0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2942 1.7996 0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0159 -1.4476 -0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2969 -2.4192 -0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2279 -0.8868 -0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8562 1.5492 -0.3645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6272 2.4949 -0.2034 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